N-cyclohexyl-5-methylpyridin-2-amine

• ChemBase ID: 272377
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: n1c(NC2CCCCC2)ccc(c1)C
• Canonical SMILES: Cc1ccc(nc1)NC1CCCCC1
• InChI: InChI=1S/C12H18N2/c1-10-7-8-12(13-9-10)14-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,13,14)
• InChIKey: UBFIFUKQMCODHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-5-methylpyridin-2-amine
• IUPAC Traditional name: N-cyclohexyl-5-methylpyridin-2-amine
• Synonyms: N-cyclohexyl-5-methylpyridin-2-amine

Database IDs

• MDL Number: MFCD11116495
• PubChem SID: 164328287
• PubChem CID: 13224300

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.931615
• LogD (pH = 7.4): 2.997726
• Log P: 3.135501
• Molar Refractivity: 60.4638 cm^3
• Polarizability: 22.6672 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 89 - 91°C
• Hydrophobicity(logP): 3.646

Product Information

• Purity: 95%