N-(pyridin-2-ylmethyl)cyclohexanamine

• ChemBase ID: 310870
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: n1c(CNC2CCCCC2)cccc1
• Canonical SMILES: C1CCC(CC1)NCc1ccccn1
• InChI: InChI=1S/C12H18N2/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13-12/h4-5,8-9,11,14H,1-3,6-7,10H2
• InChIKey: KUBDCHSZNMFKFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(pyridin-2-ylmethyl)cyclohexanamine
• IUPAC Traditional name: N-(pyridin-2-ylmethyl)cyclohexanamine
• Synonyms: N-(pyridin-2-ylmethyl)cyclohexanamine

Database IDs

• CAS Number: 68339-45-7
• MDL Number: MFCD01135534

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8191125
• LogD (pH = 7.4): 0.6870149
• Log P: 2.1946647
• Molar Refractivity: 57.6411 cm^3
• Polarizability: 23.143332 Å^3
• Polar Surface Area: 24.92 Å^2