propyl(pyridin-2-ylmethyl)amine

• ChemBase ID: 312508
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: n1c(CNCCC)cccc1
• Canonical SMILES: CCCNCc1ccccn1
• InChI: InChI=1S/C9H14N2/c1-2-6-10-8-9-5-3-4-7-11-9/h3-5,7,10H,2,6,8H2,1H3
• InChIKey: OXWGLVVRVXFLHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propyl(pyridin-2-ylmethyl)amine
• IUPAC Traditional name: propyl(pyridin-2-ylmethyl)amine
• Synonyms: N-(2-pyridinylmethyl)-1-propanamine

Database IDs

• CAS Number: 51639-59-9
• MDL Number: MFCD07411569

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6362798
• LogD (pH = 7.4): -0.026284913
• Log P: 1.2747245
• Molar Refractivity: 45.8995 cm^3
• Polarizability: 18.344109 Å^3
• Polar Surface Area: 24.92 Å^2