methyl[1-(pyridin-2-yl)butyl]amine

• ChemBase ID: 271091
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: n1c(C(NC)CCC)cccc1
• Canonical SMILES: CCCC(c1ccccn1)NC
• InChI: InChI=1S/C10H16N2/c1-3-6-9(11-2)10-7-4-5-8-12-10/h4-5,7-9,11H,3,6H2,1-2H3
• InChIKey: VBLRXHGJUDACMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[1-(pyridin-2-yl)butyl]amine
• IUPAC Traditional name: methyl[1-(pyridin-2-yl)butyl]amine
• Synonyms: methyl[1-(pyridin-2-yl)butyl]amine

Database IDs

• MDL Number: MFCD12154221
• PubChem SID: 164327001
• PubChem CID: 50987867

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.99690384
• LogD (pH = 7.4): 0.5995072
• Log P: 1.9312494
• Molar Refractivity: 50.2458 cm^3
• Polarizability: 20.19035 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.38

Product Information

• Purity: 95%