chempirical

2-Amino-6-methylheptane hydrochloride

C8H20ClNCAS 5984-59-8165.71 g/mol

Open in Covalent MOL file
NH2HCl
Primary amine

Properties

Molecular formula
C8H20ClN
Molar mass
165.71 g/mol
Exact mass
165.1284 Da
Melting point
139–140 °C
logP
2.58Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
4

Identifiers

CAS number
5984-59-8
SMILES
CC(C)CCCC(C)N.Cl
InChIKey
JWQWFYMPBWLERY-UHFFFAOYSA-N
InChI
InChI=1S/C8H19N.ClH/c1-7(2)5-4-6-8(3)9;/h7-8H,4-6,9H2,1-3H3;1H

Weigh it out

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

Names and synonyms

5 names
  • 2-Heptanamine, 6-methyl-, hydrochloride (1:1)
  • Hexylamine, 1,5-dimethyl-, hydrochloride
  • 2-Heptanamine, 6-methyl-, hydrochloride
  • 2-Isooctylamine hydrochloride
  • NSC 27116

Work with 2-Amino-6-methylheptane hydrochloride

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(±)-1,5-Dimethylhexylamine543-82-886 % similar 1,4-Dimethylpentylamine28292-43-561 % similar Heptaminol hydrochloride543-15-752 % similar 2-Aminoheptane123-82-048 % similar (S)-(-)-1,2-Propanediamine dihydrochloride19777-66-346 % similar (+)-1,2-Propanediamine dihydrochloride19777-67-446 % similar 2,7-Dimethyloctane1072-16-845 % similar 1,3-Dimethylbutylamine108-09-844 % similar

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

Same formula

Tetraethylammonium chloride56-34-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook