Isobutylamine

A primary amine, C4H11N, 73.139 g/mol. Boiling point 68-69 °C, melting point -85 °C, as published. Appears in 1 documented reaction.

verified recordOrganic — primary amine8 measured properties1 documented reactions

Identifiers

Molecular formula: C₄H₁₁N
Molecular weight: 73.139 g/mol
Exact mass: 73.089149 g/mol
IUPAC name: 2-methylpropan-1-amine
SMILES: CC(C)CN
InChI: InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3
InChIKey: KDSNLYIMUZNERS-UHFFFAOYSA-N

Open in ReactionLens Use in reaction prediction

Measured properties

Published measurements, each with its source. Two readings of one property are both shown, in the units each used.

Boiling Point: 154 to 156 °F at 760 mmHg (NTP, 1992)measured · CAMEO Chemicals; 68-69 °Cmeasured · Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
Melting Point: -121 °F (NTP, 1992)measured · CAMEO Chemicals; -85 °Cmeasured · Hazardous Substances Data Bank (HSDB)
Density: 0.739 at 68 °F (USCG, 1999) - Less dense than water; will floatmeasured · CAMEO Chemicals; 0.724 at 25 °C/4 °Cmeasured · Hazardous Substances Data Bank (HSDB)
Solubility: Very soluble (NTP, 1992)measured · CAMEO Chemicals; Very sol in alcohol, ether; Sol in acetone, benzenemeasured · Hazardous Substances Data Bank (HSDB)
Vapor Pressure: 100 mmHg at 65.8 °F (NTP, 1992)measured · CAMEO Chemicals; 138.0 [mmHg]measured · Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
LogP: log Kow = 0.73measured · Hazardous Substances Data Bank (HSDB); 0.73measured · Human Metabolome Database (HMDB)
Flash Point: 15 °F (NTP, 1992)measured · CAMEO Chemicals; 15 °F (-9 °C) (closed cup)measured · Hazardous Substances Data Bank (HSDB)
Refractive Index: Index of refraction: 1.3988 at 17 °C/Dmeasured · O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. 13th Edition, Whitehouse Station, NJ: Merck and Co., Inc., 2001., p. 921; 1.391-1.397measured · reference compound database

Calculated properties

Derived from the structure, not from a sample; kept apart from the measurements above.

Molecular weight: 73.14 g/molcalculated · reference compound database; Average mass of one molecule, from reference compound database.
Exact mass: 73.089149355 Dacalculated · reference compound database; Mass of the most common isotopic form.
XLogP3: 0.7calculated · reference compound database; Estimated oil/water partition, computed by reference compound database.
Polar surface area: 26 Å²calculated · reference compound database; Polar surface area as computed by reference compound database.
Complexity: 17calculated · reference compound database; A rough measure of how intricate the structure is.
H-bond donors: 1calculated · reference compound database
H-bond acceptors: 1calculated · reference compound database
logP: 0.6011calculated · chemistry engine; Estimated preference for oil over water. Higher means more oil-like.
Topological polar surface area: 26.02 Å²calculated · chemistry engine; Surface area from polar atoms; relates to how easily a molecule crosses membranes.
H-bond donors: 1calculated · chemistry engine; Atoms that can donate a hydrogen bond.
H-bond acceptors: 1calculated · chemistry engine; Atoms that can accept a hydrogen bond.
Rotatable bonds: 1calculated · chemistry engine; Single bonds the molecule can freely twist around.
Molar refractivity: 23.8924 cm³/molcalculated · chemistry engine; Relates to the molecule's polarisability.
Fraction sp³ carbons: 1calculated · chemistry engine; Share of carbon atoms with tetrahedral bonding.
QED drug-likeness: 0.483calculated · chemistry engine; Quantitative estimate of drug-likeness (0–1).

What it is made of

Elements

C Carbon4 atoms · 65.7% by mass
N Nitrogen1 atom · 19.2% by mass
H Hydrogen11 atoms · 15.2% by mass

Percentages are of the molecular weight above, worked out the same way the molar mass calculator does it.

Structure

Heavy atoms, hydrogen excluded: 5
Total atoms, hydrogen included: 16
Rings: 0
Aromatic rings: 0
Stereocentres: 0
Formal charge: 0

Functional groups

Primary amine
Nitrogen bonded to one carbon and two hydrogens.

Matched by structural pattern, not by a measurement.

The molecule in three dimensions

Rotate and inspect the atoms. Loaded only when you ask, so the page stays light.

The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.

Reactions it appears in

1 documented reaction involves Isobutylamine, each with a written procedure and a source, and all of them are buchwald–hartwig amination. A few are shown.

Buchwald–Hartwig amination

Buchwald–Hartwig amination · as a reactant

A recorded experiment with its conditions, its yield where one was published, and a link to the source.

All 1 buchwald–hartwig amination records

Other names for it

The systematic name on this record is 2-methylpropan-1-amine.

The sources also call it 2-methylpropan-1-amine, 1-Amino-2-methylpropane, 2-Methylpropylamine, Valamine, Monoisobutylamine, 1-Propanamine, 2-methyl-, iso-Butylamine, 2-Methylpropanamine, I-Butylamine, 2-Methyl-1-propanamine, 3-Methyl-2-propylamine.

Structurally related

Nothing structurally close to Isobutylamine has a page here yet.

Seen alongside it in reaction records

Molecules that appear in the same recorded reactions as Isobutylamine. This says nothing about structure: most of them are the bases, solvents, ligands and catalysts the chemistry needed, and they are here because somebody put them in the same flask.

1,4-Dioxane

used as a reactant

C₄H₈O₂, 88.106 g/mol.

(R)-(-)-1-[(S)-2-(Dicyclohexylphosphino)ferrocenyl]ethyldi-t-butylphosphine;Ferrocene, 1-[(1R)-1-[bis(1,1-dimethylethyl)phosphino]ethyl]-2-(dicyclohexylphosphino)-, (2R)-

C₃₂H₆₂FeP₂, 564.641 g/mol.

1,4-Di-Boc-piperazine-2-carboxylic acid

used as a reactant

C₁₅H₂₆N₂O₆, 330.381 g/mol.

Where these values came from

reference compound database6558
compound record
chemistry engine
structure perception

compound record.

What this page does not claim

Identifiers are copied from the source record, measured values are reported as published, and calculated values are marked as calculated. Nothing here is a hazard, purity or handling assessment — how the library is checked.