N-(cyclohexylmethyl)cyclohexanamine

• ChemBase ID: 311651
• Molecular Formular: C13H25N
• Molecular Mass: 195.3443
• Monoisotopic Mass: 195.19869981
• SMILES: N(CC1CCCCC1)C1CCCCC1
• Canonical SMILES: C1CCC(CC1)NCC1CCCCC1
• InChI: InChI=1S/C13H25N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h12-14H,1-11H2
• InChIKey: JMXKCMGJNZQWDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclohexylmethyl)cyclohexanamine
• IUPAC Traditional name: N-(cyclohexylmethyl)cyclohexanamine
• Synonyms: N-(cyclohexylmethyl)cyclohexanamine

Database IDs

• CAS Number: 87364-66-7
• MDL Number: MFCD03211376

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.4805298
• LogD (pH = 7.4): 0.6069847
• Log P: 3.7206752
• Molar Refractivity: 61.4526 cm^3
• Polarizability: 24.784561 Å^3
• Polar Surface Area: 12.03 Å^2