[1-(pyridin-2-yl)cyclohexyl]methanamine

• ChemBase ID: 795930
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: C(N)C1(CCCCC1)c1ncccc1
• Canonical SMILES: NCC1(CCCCC1)c1ccccn1
• InChI: InChI=1S/C12H18N2/c13-10-12(7-3-1-4-8-12)11-6-2-5-9-14-11/h2,5-6,9H,1,3-4,7-8,10,13H2
• InChIKey: XGYWBGLMCUFVOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(pyridin-2-yl)cyclohexyl]methanamine
• IUPAC Traditional name: [1-(pyridin-2-yl)cyclohexyl]methanamine
• Synonyms: Cyclohexanemethanamine, 1-(2-pyridinyl)-

Database IDs

• CAS Number: 204067-08-3

CALCULATED PROPERTIES

• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.80055195
• LogD (pH = 7.4): 0.29507536
• Log P: 2.168807
• Molar Refractivity: 57.628 cm^3
• Polarizability: 23.064766 Å^3

PROPERTIES

Product Information

• Purity: 97%; 98%