1,3-Dimethylbutylamine

C6H15NCAS 108-09-8101.19 g/mol

Open in Covalent MOL file
NH2
Primary amine

Properties

Molecular formula
C6H15N
Molar mass
101.19 g/mol
Exact mass
101.1204 Da
Density
0.8492 g/mL (at 20 °C)
Melting point
155–156 °C
Boiling point
108–109 °C
Flash point
12.8 °C
logP
1.38Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)Irritant (GHS07)

Aggregated from 40 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
108-09-8
SMILES
CC(C)CC(C)N
InChIKey
UNBMPKNTYKDYCG-UHFFFAOYSA-N
InChI
InChI=1S/C6H15N/c1-5(2)4-6(3)7/h5-6H,4,7H2,1-3H3

Weigh it out

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

Names and synonyms

11 names
  • 2-Pentanamine, 4-methyl-
  • Butylamine, 1,3-dimethyl-
  • 4-Methyl-2-pentanamine
  • 4-Methyl-2-aminopentane
  • 2-Amino-4-methylpentane
  • 1,3-Dimethylbutanamine
  • DL-1,3-Dimethylbutylamine
  • (±)-1,3-Dimethylbutylamine
  • (±)-4-Methyl-2-pentanamine
  • NSC 48080
  • 4-Amino-2-methylpentane

Work with 1,3-Dimethylbutylamine

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.

1,3-Dimethylbutylamine hydrochloride71776-70-0Salt

Similar compounds

1,4-Dimethylpentylamine28292-43-555 % similar 2,4-Dimethylpentane108-08-750 % similar (±)-1,5-Dimethylhexylamine543-82-850 % similar 1,3-Dimethylamylamine105-41-948 % similar 2,6-Dimethyl-4-heptanol108-82-745 % similar (-)-sec-Butylamine13250-12-945 % similar sec-Butylamine13952-84-645 % similar (±)-sec-Butylamine33966-50-645 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Diisopropylamine108-18-9 Hexylamine111-26-2 Triethylamine121-44-8 Ethylbutylamine13360-63-9 Dipropylamine142-84-7 (+)-2-Amino-3,3-dimethylbutane22526-47-2 N-Methylpentylamine25419-06-1 2-Amino-3,3-dimethylbutane3850-30-4

Elsewhere

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