(butan-2-yl)(pyridin-2-ylmethyl)amine

• ChemBase ID: 312318
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: n1c(CNC(CC)C)cccc1
• Canonical SMILES: CCC(NCc1ccccn1)C
• InChI: InChI=1S/C10H16N2/c1-3-9(2)12-8-10-6-4-5-7-11-10/h4-7,9,12H,3,8H2,1-2H3
• InChIKey: HVLQDTDDFBCFDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 58669-31-1
• MDL Number: MFCD07411572

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2635429
• LogD (pH = 7.4): 0.30899677
• Log P: 1.6912994
• Molar Refractivity: 50.3183 cm^3
• Polarizability: 20.190737 Å^3
• Polar Surface Area: 24.92 Å^2