1,3-Dimethylamylamine

C7H17NCAS 105-41-9115.22 g/mol

Open in Covalent MOL file
NH2
Primary amine

Properties

Molecular formula
C7H17N
Molar mass
115.22 g/mol
Exact mass
115.1361 Da
Density
0.762–0.7655 g/mL
Boiling point
132.5 °C
Water solubility
slightly soluble
logP
1.77Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Hazards

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

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
105-41-9
SMILES
CCC(C)CC(C)N
InChIKey
YAHRDLICUYEDAU-UHFFFAOYSA-N
InChI
InChI=1S/C7H17N/c1-4-6(2)5-7(3)8/h6-7H,4-5,8H2,1-3H3

Weigh it out

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

Names and synonyms

11 names
  • 2-Hexanamine, 4-methyl-
  • Pentylamine, 1,3-dimethyl-
  • 4-Methyl-2-hexanamine
  • 2-Amino-4-methylhexane
  • 1,3-Dimethylpentylamine
  • Forthane
  • 4-Methyl-2-hexylamine
  • Forthan
  • 1,3-Dimethylpentanamine
  • Methylhexaneamine
  • NSC 1106

Work with 1,3-Dimethylamylamine

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.

4-Methyl-2-hexanamine hydrochloride13803-74-2Salt

Similar compounds

3,5-Dimethylheptane926-82-960 % similar (-)-sec-Butylamine13250-12-957 % similar sec-Butylamine13952-84-657 % similar (±)-sec-Butylamine33966-50-657 % similar (S)-sec-Butylamine513-49-557 % similar (±)-2,4-Dimethylhexane589-43-552 % similar 3-Methylpentane96-14-050 % similar 1,3-Dimethylbutylamine108-09-848 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Heptylamine111-68-2 2-Aminoheptane123-82-0 4-Heptanamine16751-59-0 1,4-Dimethylpentylamine28292-43-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook