(cyclohexylmethyl)(pyridin-3-ylmethyl)amine hydrochloride

• ChemBase ID: 123951
• Molecular Formular: C13H21ClN2
• Molecular Mass: 240.77224
• Monoisotopic Mass: 240.13932636
• SMILES: n1cc(CNCC2CCCCC2)ccc1.Cl
• Canonical SMILES: C1CCC(CC1)CNCc1cccnc1.Cl
• InChI: InChI=1S/C13H20N2.ClH/c1-2-5-12(6-3-1)9-15-11-13-7-4-8-14-10-13;/h4,7-8,10,12,15H,1-3,5-6,9,11H2;1H
• InChIKey: QJEZLYKEQNXNGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclohexylmethyl)(pyridin-3-ylmethyl)amine hydrochloride
• IUPAC Traditional name: (cyclohexylmethyl)(pyridin-3-ylmethyl)amine hydrochloride
• Synonyms: 1-cyclohexyl-N-(pyridin-3-ylmethyl)methanamine hydrochloride

Database IDs

• PubChem SID: 162218304
• PubChem CID: 17157346

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.76885813
• LogD (pH = 7.4): 0.1857773
• Log P: 2.4282055
• Molar Refractivity: 62.8941 cm^3
• Polarizability: 24.988935 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl