N-cyclopentyl-4-methylcyclohexan-1-amine

• ChemBase ID: 311315
• Molecular Formular: C12H23N
• Molecular Mass: 181.31772
• Monoisotopic Mass: 181.18304974
• SMILES: N(C1CCC(CC1)C)C1CCCC1
• Canonical SMILES: CC1CCC(CC1)NC1CCCC1
• InChI: InChI=1S/C12H23N/c1-10-6-8-12(9-7-10)13-11-4-2-3-5-11/h10-13H,2-9H2,1H3
• InChIKey: YPJRNALUOUDJDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-4-methylcyclohexan-1-amine
• IUPAC Traditional name: N-cyclopentyl-4-methylcyclohexan-1-amine
• Synonyms: N-cyclopentyl-4-methylcyclohexanamine

Database IDs

• CAS Number: 859520-97-1
• MDL Number: MFCD08691753

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.008241069
• LogD (pH = 7.4): 0.15036726
• Log P: 3.248113
• Molar Refractivity: 56.6694 cm^3
• Polarizability: 22.937813 Å^3
• Polar Surface Area: 12.03 Å^2