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

• ChemBase ID: 270496
• Molecular Formular: C12H24N2
• Molecular Mass: 196.33236
• Monoisotopic Mass: 196.19394878
• SMILES: N1(C2CCC(CC2)C)CCC(CC1)N
• Canonical SMILES: CC1CCC(CC1)N1CCC(CC1)N
• InChI: InChI=1S/C12H24N2/c1-10-2-4-12(5-3-10)14-8-6-11(13)7-9-14/h10-12H,2-9,13H2,1H3
• InChIKey: AEVREEGMRWWGQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09938326
• PubChem SID: 164326406
• PubChem CID: 24699417

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.360569
• LogD (pH = 7.4): -2.3875716
• Log P: 1.4876369
• Molar Refractivity: 60.9327 cm^3
• Polarizability: 24.457176 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.854

Product Information

• Purity: 95%