methyl({[1-(piperidin-1-yl)cyclohexyl]methyl})amine

• ChemBase ID: 33562
• Molecular Formular: C13H26N2
• Molecular Mass: 210.35894
• Monoisotopic Mass: 210.20959884
• SMILES: N1(C2(CNC)CCCCC2)CCCCC1
• Canonical SMILES: CNCC1(CCCCC1)N1CCCCC1
• InChI: InChI=1S/C13H26N2/c1-14-12-13(8-4-2-5-9-13)15-10-6-3-7-11-15/h14H,2-12H2,1H3
• InChIKey: YVTRGSINXCANDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[1-(piperidin-1-yl)cyclohexyl]methyl})amine
• IUPAC Traditional name: methyl({[1-(piperidin-1-yl)cyclohexyl]methyl})amine
• Synonyms: N-methyl-1-(1-piperidin-1-ylcyclohexyl)methanamine; N-Methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]-amine

Database IDs

• CAS Number: 41805-50-9
• MDL Number: MFCD05864490
• PubChem SID: 160996869
• PubChem CID: 21409890

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0626454
• LogD (pH = 7.4): -0.6174972
• Log P: 2.3991714
• Molar Refractivity: 65.7583 cm^3
• Polarizability: 26.303617 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false