cyclohexyl(pyridin-3-yl)methanamine

• ChemBase ID: 270103
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: C(c1cnccc1)(C1CCCCC1)N
• Canonical SMILES: NC(c1cccnc1)C1CCCCC1
• InChI: InChI=1S/C12H18N2/c13-12(10-5-2-1-3-6-10)11-7-4-8-14-9-11/h4,7-10,12H,1-3,5-6,13H2
• InChIKey: MGAMAQSNSVZIEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohexyl(pyridin-3-yl)methanamine
• IUPAC Traditional name: cyclohexyl(pyridin-3-yl)methanamine
• Synonyms: cyclohexyl(pyridin-3-yl)methanamine

Database IDs

• MDL Number: MFCD12153923
• PubChem SID: 164326013
• PubChem CID: 22299209

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.93394
• LogD (pH = 7.4): 0.01037615
• Log P: 2.0553923
• Molar Refractivity: 57.7897 cm^3
• Polarizability: 23.14199 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.027

Product Information

• Purity: 95%