benzyl(cyclohexylmethyl)amine

• ChemBase ID: 311669
• Molecular Formular: C14H21N
• Molecular Mass: 203.32324
• Monoisotopic Mass: 203.16739968
• SMILES: N(Cc1ccccc1)CC1CCCCC1
• Canonical SMILES: C1CCC(CC1)CNCc1ccccc1
• InChI: InChI=1S/C14H21N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1,3-4,7-8,14-15H,2,5-6,9-12H2
• InChIKey: CNKNITYCQODULW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(cyclohexylmethyl)amine
• IUPAC Traditional name: benzyl(cyclohexylmethyl)amine
• Synonyms: N-benzyl-1-cyclohexylmethanamine

Database IDs

• CAS Number: 4352-47-0
• MDL Number: MFCD01016938

CALCULATED PROPERTIES

• LogD (pH = 7.4): 1.0455865
• Log P: 3.6458778
• Molar Refractivity: 65.051 cm^3
• Polarizability: 25.932266 Å^3
• Polar Surface Area: 12.03 Å^2
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.42200157