N-cyclohexyl-3-methylpyridin-2-amine

• ChemBase ID: 229927
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: c1(NC2CCCCC2)ncccc1C
• Canonical SMILES: Cc1cccnc1NC1CCCCC1
• InChI: InChI=1S/C12H18N2/c1-10-6-5-9-13-12(10)14-11-7-3-2-4-8-11/h5-6,9,11H,2-4,7-8H2,1H3,(H,13,14)
• InChIKey: LKMFUVVVZFUIES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-3-methylpyridin-2-amine
• IUPAC Traditional name: N-cyclohexyl-3-methylpyridin-2-amine
• Synonyms: Cyclohexyl-(3-methyl-pyridin-2-yl)-amine

Database IDs

• MDL Number: MFCD03651789
• PubChem SID: 164285837
• PubChem CID: 2366446

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8914659
• LogD (pH = 7.4): 2.9716823
• Log P: 3.135501
• Molar Refractivity: 60.4638 cm^3
• Polarizability: 22.66807 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 81 - 83°C
• Hydrophobicity(logP): 3.646

Product Information

• Purity: 95%