N-(4-methylcyclohexyl)pyridin-2-amine

• ChemBase ID: 269976
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: c1(ncccc1)NC1CCC(CC1)C
• Canonical SMILES: CC1CCC(CC1)Nc1ccccn1
• InChI: InChI=1S/C12H18N2/c1-10-5-7-11(8-6-10)14-12-4-2-3-9-13-12/h2-4,9-11H,5-8H2,1H3,(H,13,14)
• InChIKey: RRSIAPLWMGWKMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-methylcyclohexyl)pyridin-2-amine
• IUPAC Traditional name: N-(4-methylcyclohexyl)pyridin-2-amine
• Synonyms: N-(4-methylcyclohexyl)pyridin-2-amine

Database IDs

• MDL Number: MFCD11125602
• PubChem SID: 164325886
• PubChem CID: 43082173

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9197296
• LogD (pH = 7.4): 2.8464983
• Log P: 2.9090986
• Molar Refractivity: 59.9712 cm^3
• Polarizability: 22.746946 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149 - 151°C
• Hydrophobicity(logP): 3.666

Product Information

• Purity: 95%