N-cyclohexylpyridin-2-amine

• ChemBase ID: 229589
• Molecular Formular: C11H16N2
• Molecular Mass: 176.25814
• Monoisotopic Mass: 176.13134852
• SMILES: c1(ncccc1)NC1CCCCC1
• Canonical SMILES: C1CCC(CC1)Nc1ccccn1
• InChI: InChI=1S/C11H16N2/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11/h4-5,8-10H,1-3,6-7H2,(H,12,13)
• InChIKey: UUMQKWWKCDCMJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexylpyridin-2-amine
• IUPAC Traditional name: N-cyclohexylpyridin-2-amine
• Synonyms: Cyclohexyl-pyridin-2-yl-amine

Database IDs

• CAS Number: 15513-16-3
• MDL Number: MFCD00086651
• PubChem SID: 164285499
• PubChem CID: 84957

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6327084
• LogD (pH = 7.4): 2.5594788
• Log P: 2.6220796
• Molar Refractivity: 55.4226 cm^3
• Polarizability: 20.901329 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 123 - 125°C
• Hydrophobicity(logP): 3.147

Product Information

• Purity: 95%