(cyclohexylmethyl)(ethyl)amine

• ChemBase ID: 308023
• Molecular Formular: C9H19N
• Molecular Mass: 141.25386
• Monoisotopic Mass: 141.15174961
• SMILES: N(CC1CCCCC1)CC
• Canonical SMILES: CCNCC1CCCCC1
• InChI: InChI=1S/C9H19N/c1-2-10-8-9-6-4-3-5-7-9/h9-10H,2-8H2,1H3
• InChIKey: XQWSLHIYGMOJHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclohexylmethyl)(ethyl)amine
• IUPAC Traditional name: (cyclohexylmethyl)(ethyl)amine
• Synonyms: (cyclohexylmethyl)ethylamine

Database IDs

• CAS Number: 14002-08-5
• MDL Number: MFCD08756353

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.9595672
• LogD (pH = 7.4): -0.7135733
• Log P: 2.2782128
• Molar Refractivity: 45.187 cm^3
• Polarizability: 18.13941 Å^3
• Polar Surface Area: 12.03 Å^2