N-(cyclohexylmethyl)pyridin-2-amine

• ChemBase ID: 242467
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: c1(ncccc1)NCC1CCCCC1
• Canonical SMILES: C1CCC(CC1)CNc1ccccn1
• InChI: InChI=1S/C12H18N2/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12/h4-5,8-9,11H,1-3,6-7,10H2,(H,13,14)
• InChIKey: SHLZVLUHYFQWIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclohexylmethyl)pyridin-2-amine
• IUPAC Traditional name: N-(cyclohexylmethyl)pyridin-2-amine
• Synonyms: N-(cyclohexylmethyl)pyridin-2-amine

Database IDs

• MDL Number: MFCD09026305
• PubChem SID: 164298377
• PubChem CID: 16244137

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9276571
• LogD (pH = 7.4): 2.8701005
• Log P: 2.9370923
• Molar Refractivity: 60.1534 cm^3
• Polarizability: 22.747055 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 91 - 93°C
• Hydrophobicity(logP): 3.766

Product Information

• Purity: 95%