3-methyl-N-(3-methylcyclohexyl)cyclohexan-1-amine

• ChemBase ID: 270264
• Molecular Formular: C14H27N
• Molecular Mass: 209.37088
• Monoisotopic Mass: 209.21434987
• SMILES: N(C1CC(CCC1)C)C1CC(CCC1)C
• Canonical SMILES: CC1CCCC(C1)NC1CCCC(C1)C
• InChI: InChI=1S/C14H27N/c1-11-5-3-7-13(9-11)15-14-8-4-6-12(2)10-14/h11-15H,3-10H2,1-2H3
• InChIKey: FBBSSGDEXCODGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-N-(3-methylcyclohexyl)cyclohexan-1-amine
• IUPAC Traditional name: 3-methyl-N-(3-methylcyclohexyl)cyclohexan-1-amine
• Synonyms: 3-methyl-N-(3-methylcyclohexyl)cyclohexan-1-amine

Database IDs

• MDL Number: MFCD12166366
• PubChem SID: 164326174
• PubChem CID: 20454197

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.7393284
• LogD (pH = 7.4): 0.8523398
• Log P: 3.9797008
• Molar Refractivity: 65.819 cm^3
• Polarizability: 26.631351 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.582

Product Information

• Purity: 95%