methyl[1-(pyridin-3-yl)propyl]amine

• ChemBase ID: 307966
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: c1(C(NC)CC)cnccc1
• Canonical SMILES: CCC(c1cccnc1)NC
• InChI: InChI=1S/C9H14N2/c1-3-9(10-2)8-5-4-6-11-7-8/h4-7,9-10H,3H2,1-2H3
• InChIKey: JTPWXPRSUHUPPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[1-(pyridin-3-yl)propyl]amine
• IUPAC Traditional name: methyl[1-(pyridin-3-yl)propyl]amine
• Synonyms: N-methyl-1-(3-pyridinyl)-1-propanamine

Database IDs

• CAS Number: 959239-30-6
• MDL Number: MFCD09864464

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.915145
• LogD (pH = 7.4): -0.78659475
• Log P: 1.2530197
• Molar Refractivity: 46.0919 cm^3
• Polarizability: 18.342773 Å^3
• Polar Surface Area: 24.92 Å^2