butyl(pyridin-2-ylmethyl)amine

• ChemBase ID: 312551
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: n1c(CNCCCC)cccc1
• Canonical SMILES: CCCCNCc1ccccn1
• InChI: InChI=1S/C10H16N2/c1-2-3-7-11-9-10-6-4-5-8-12-10/h4-6,8,11H,2-3,7,9H2,1H3
• InChIKey: YIHVRGYQUTZXNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 58061-48-6
• MDL Number: MFCD07407937

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2059824
• LogD (pH = 7.4): 0.39275002
• Log P: 1.7192931
• Molar Refractivity: 50.5005 cm^3
• Polarizability: 20.190737 Å^3
• Polar Surface Area: 24.92 Å^2