N-methyl-1-(4-methylcyclohexyl)piperidin-4-amine

• ChemBase ID: 265993
• Molecular Formular: C13H26N2
• Molecular Mass: 210.35894
• Monoisotopic Mass: 210.20959884
• SMILES: N1(C2CCC(CC2)C)CCC(CC1)NC
• Canonical SMILES: CNC1CCN(CC1)C1CCC(CC1)C
• InChI: InChI=1S/C13H26N2/c1-11-3-5-13(6-4-11)15-9-7-12(14-2)8-10-15/h11-14H,3-10H2,1-2H3
• InChIKey: VUZORLMCLKATJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1-(4-methylcyclohexyl)piperidin-4-amine
• IUPAC Traditional name: N-methyl-1-(4-methylcyclohexyl)piperidin-4-amine
• Synonyms: N-methyl-1-(4-methylcyclohexyl)piperidin-4-amine

Database IDs

• MDL Number: MFCD11640986
• PubChem SID: 164321903
• PubChem CID: 43315480

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.214293
• LogD (pH = 7.4): -2.22955
• Log P: 1.9202173
• Molar Refractivity: 65.7073 cm^3
• Polarizability: 26.303617 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.83

Product Information

• Purity: 95%