1-(piperidin-1-ylmethyl)cyclohexan-1-amine

• ChemBase ID: 17898
• Molecular Formular: C12H24N2
• Molecular Mass: 196.33236
• Monoisotopic Mass: 196.19394878
• SMILES: C1(CN2CCCCC2)(CCCCC1)N
• Canonical SMILES: NC1(CCCCC1)CN1CCCCC1
• InChI: InChI=1S/C12H24N2/c13-12(7-3-1-4-8-12)11-14-9-5-2-6-10-14/h1-11,13H2
• InChIKey: SLKVNNFZDPSITH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-1-ylmethyl)cyclohexan-1-amine
• IUPAC Traditional name: 1-(piperidin-1-ylmethyl)cyclohexan-1-amine
• Synonyms: 1-Piperidin-1-ylmethyl-cyclohexylamine; 1-(piperidin-1-ylmethyl)cyclohexanamine

Database IDs

• CAS Number: 220137-70-2
• MDL Number: MFCD07801143
• PubChem SID: 160981205
• PubChem CID: 6484226

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.4784636
• LogD (pH = 7.4): -1.316279
• Log P: 1.966591
• Molar Refractivity: 60.9837 cm^3
• Polarizability: 24.457176 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false