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

• ChemBase ID: 307925
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: n1c(C(NC)CC)cccc1
• Canonical SMILES: CCC(c1ccccn1)NC
• InChI: InChI=1S/C9H14N2/c1-3-8(10-2)9-6-4-5-7-11-9/h4-8,10H,3H2,1-2H3
• InChIKey: PZDVEUZUKAGTFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 959238-83-6
• MDL Number: MFCD09864435

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4272145
• LogD (pH = 7.4): 0.1806193
• Log P: 1.4866807
• Molar Refractivity: 45.6448 cm^3
• Polarizability: 18.343721 Å^3
• Polar Surface Area: 24.92 Å^2