4-Methylcyclohexylamine

C7H15NCAS 6321-23-9113.20 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
0.9057 g/mL (at 8 °C)
Boiling point
148–150 °C
logP
1.52Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)

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, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number
6321-23-9
SMILES
CC1CCC(N)CC1
InChIKey
KSMVBYPXNKCPAJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H15N/c1-6-2-4-7(8)5-3-6/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

7 names
  • Cyclohexanamine, 4-methyl-
  • Cyclohexylamine, 4-methyl-
  • 4-Methylcyclohexanamine
  • p-Methylcyclohexylamine
  • NSC 32387
  • 1-Amino-4-methylcyclohexane
  • 4-Methylcyclohexan-1-amine

Work with 4-Methylcyclohexylamine

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.

trans-4-Methylcyclohexylamine2523-55-9Defined stereoisomer trans-4-Methylcyclohexylamine hydrochloride33483-65-7Salt, defined stereoisomer

Similar compounds

trans-1,4-Diaminocyclohexane2615-25-060 % similar 1,4-Diaminocyclohexane3114-70-360 % similar 1,4-Dimethylcyclohexane589-90-260 % similar cis-1,4-Dimethylcyclohexane624-29-360 % similar Cyclopropylamine765-30-060 % similar 3-Methylcyclohexanamine6850-35-748 % similar 4-Heptanamine16751-59-045 % similar 4,4′-Diaminodicyclohexylmethane1761-71-345 % 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 (Cyclopropylmethyl)propylamine26389-60-6 Cyclohexanemethanamine3218-02-8 3,5-Dimethylpiperidine35794-11-7

Elsewhere

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