chempirical

3-Methylcyclohexanamine

C7H15NCAS 6850-35-7113.20 g/mol

Open in Covalent MOL file
NH2
Primary amine

Properties

Molecular formula
C7H15N
Molar mass
113.20 g/mol
Exact mass
113.1204 Da
Density
0.8562 g/mL (at 19 °C)
Melting point
74–75 °C
Boiling point
152–153 °C (at 752 Torr)
logP
1.52Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
6850-35-7
SMILES
CC1CCCC(N)C1
InChIKey
JYDYHSHPBDZRPU-UHFFFAOYSA-N
InChI
InChI=1S/C7H15N/c1-6-3-2-4-7(8)5-6/h6-7H,2-5,8H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • Cyclohexanamine, 3-methyl-
  • Cyclohexylamine, 3-methyl-
  • m-Methylcyclohexylamine
  • 1,3-Aminomethylcyclohexane
  • 3-Methylcyclohexylamine
  • 3-Methylcyclohexan-1-amine

Work with 3-Methylcyclohexanamine

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

1,3-Cyclohexanediamine3385-21-560 % similar 1,3-Dimethylcyclohexane591-21-960 % similar 4-Methylcyclohexylamine6321-23-948 % similar 3-Methylcyclohexanol591-23-146 % similar 3-Aminocyclohexanol6850-39-146 % similar Cyclobutylammonium chloride6291-01-643 % similar Cyclopentylamine1003-03-843 % similar Methylcyclopentane96-37-743 % similar

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

Same formula

Methylcyclohexylamine100-60-7 Azocane1121-92-2 3,3-Dimethylpiperidine1193-12-0 2-Ethylpiperidine1484-80-6 trans-4-Methylcyclohexylamine2523-55-9 (Cyclopropylmethyl)propylamine26389-60-6 Cyclohexanemethanamine3218-02-8 3,5-Dimethylpiperidine35794-11-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook