(cyclohexylmethyl)(pyridin-4-ylmethyl)amine

• ChemBase ID: 271452
• Molecular Formular: C13H20N2
• Molecular Mass: 204.3113
• Monoisotopic Mass: 204.16264865
• SMILES: n1ccc(CNCC2CCCCC2)cc1
• Canonical SMILES: C1CCC(CC1)CNCc1ccncc1
• InChI: InChI=1S/C13H20N2/c1-2-4-12(5-3-1)10-15-11-13-6-8-14-9-7-13/h6-9,12,15H,1-5,10-11H2
• InChIKey: SJUOOPGDQICACN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclohexylmethyl)(pyridin-4-ylmethyl)amine
• IUPAC Traditional name: (cyclohexylmethyl)(pyridin-4-ylmethyl)amine
• Synonyms: (cyclohexylmethyl)(pyridin-4-ylmethyl)amine

Database IDs

• MDL Number: MFCD09688717
• PubChem SID: 164327362
• PubChem CID: 17207128

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.7769501
• LogD (pH = 7.4): 0.0994028
• Log P: 2.4282055
• Molar Refractivity: 62.8941 cm^3
• Polarizability: 24.988672 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.663

Product Information

• Purity: 95%