Neopentylamine

C₅H₁₃NCAS 5813-64-987.17 g/mol

Open in Covalent MOL file

Primary amine

Properties

Molecular formula: C₅H₁₃N
Molar mass: 87.17 g/mol
Exact mass: 87.1048 Da
Density: 0.7455 g/mL (at 20 °C)
Melting point: 80.4–82 °C
Boiling point: 82 °C
logP: 0.99Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vapor97.8% of notifiers
H302 Harmful if swallowed91.3% of notifiers
H314 Causes severe skin burns and eye damage97.8% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

5813-64-9

SMILES

CC(C)(C)CN

InChIKey

XDIAMRVROCPPBK-UHFFFAOYSA-N

InChI

InChI=1S/C5H13N/c1-5(2,3)4-6/h4,6H2,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

7 names

1-Propanamine, 2,2-dimethyl-
2,2-Dimethyl-1-propanamine
2,2-Dimethylpropylamine
2,2-Dimethylpropanamine
2,2-Dimethyl-1-propylamine
1-Amino-2,2-dimethylpropane
NSC 165660

Work with Neopentylamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2,2-Dimethyl-1-propylamine sulphate68306-49-0Salt

Similar compounds

2,2-Dimethyl-1,3-propanediamine7328-91-850 % similar 2-Methylpropylenediamine811-93-844 % similar 1-Amino-2-methyl-2-propanol2854-16-242 % similar 2,2,4,4-Tetramethylpentane1070-87-740 % similar (3-Methyloxetan-3-yl)methanamine153209-97-338 % similar 3-Amino-2,2-dimethyl-1-propanol26734-09-838 % similar 3-Amino-2,2-dimethylpropanamide324763-51-138 % similar 2-Methyl-3-aminopropane-2-thiol hydrochloride32047-53-336 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Isoamylamine107-85-7 1-Aminopentane110-58-7 Methylbutylamine110-68-9 N,2-Dimethyl-2-propanamine14610-37-8 N-Ethyl-2-propanamine19961-27-4 Ethylpropylamine20193-20-8 (R)-(-)-2-Amino-3-methylbutane34701-33-2 tert-Amylamine594-39-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia