(1-methylcyclohexyl)methanamine

• ChemBase ID: 309613
• Molecular Formular: C8H17N
• Molecular Mass: 127.22728
• Monoisotopic Mass: 127.13609955
• SMILES: C1(CN)(C)CCCCC1
• Canonical SMILES: NCC1(C)CCCCC1
• InChI: InChI=1S/C8H17N/c1-8(7-9)5-3-2-4-6-8/h2-7,9H2,1H3
• InChIKey: GFTCKTJDXXDHLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methylcyclohexyl)methanamine
• IUPAC Traditional name: (1-methylcyclohexyl)methanamine
• Synonyms: 1-(1-methylcyclohexyl)methanamine

Database IDs

• CAS Number: 3913-98-2
• MDL Number: MFCD09607978

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1485684
• LogD (pH = 7.4): -0.53295434
• Log P: 1.8668252
• Molar Refractivity: 40.0619 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 26.02 Å^2