(cyclohexylmethyl)(methyl)amine

• ChemBase ID: 308280
• Molecular Formular: C8H17N
• Molecular Mass: 127.22728
• Monoisotopic Mass: 127.13609955
• SMILES: N(CC1CCCCC1)C
• Canonical SMILES: CNCC1CCCCC1
• InChI: InChI=1S/C8H17N/c1-9-7-8-5-3-2-4-6-8/h8-9H,2-7H2,1H3
• InChIKey: IWHLPMBLJZJCJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclohexylmethyl)(methyl)amine
• IUPAC Traditional name: (cyclohexylmethyl)(methyl)amine
• Synonyms: (cyclohexylmethyl)methylamine

Database IDs

• CAS Number: 25756-29-0
• MDL Number: MFCD01734787

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.315493
• LogD (pH = 7.4): -1.0323288
• Log P: 1.9214048
• Molar Refractivity: 40.4384 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 12.03 Å^2