butyl(pyridin-3-ylmethyl)amine

• ChemBase ID: 312250
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: n1cc(CNCCCC)ccc1
• Canonical SMILES: CCCCNCc1cccnc1
• InChI: InChI=1S/C10H16N2/c1-2-3-6-11-8-10-5-4-7-12-9-10/h4-5,7,9,11H,2-3,6,8H2,1H3
• InChIKey: VWXAXLILGBPMJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butyl(pyridin-3-ylmethyl)amine
• IUPAC Traditional name: N-butyl-3-pyridylmethylamine
• Synonyms: N-(3-pyridinylmethyl)-1-butanamine

Database IDs

• CAS Number: 20173-12-0
• MDL Number: MFCD07409906

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5340655
• LogD (pH = 7.4): -0.42300153
• Log P: 1.6378212
• Molar Refractivity: 51.0227 cm^3
• Polarizability: 20.189867 Å^3
• Polar Surface Area: 24.92 Å^2