2-cyclohexylcyclohexan-1-amine

• ChemBase ID: 111649
• Molecular Formular: C12H23N
• Molecular Mass: 181.31772
• Monoisotopic Mass: 181.18304974
• SMILES: NC1CCCCC1C1CCCCC1
• Canonical SMILES: NC1CCCCC1C1CCCCC1
• InChI: InChI=1S/C12H23N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h10-12H,1-9,13H2
• InChIKey: KEHCTKVZDAEDPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclohexylcyclohexan-1-amine
• IUPAC Traditional name: 2-cyclohexylcyclohexan-1-amine
• Synonyms: o-AMINOBICYCLOHEXYL

Database IDs

• CAS Number: 6283-14-3
• PubChem SID: 162090805
• PubChem CID: 221997

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.11205981
• LogD (pH = 7.4): 0.38292193
• Log P: 3.1403522
• Molar Refractivity: 56.555 cm^3
• Polarizability: 22.937813 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05220219

MP Biomedicals Rare Chemical collection