N-[(pyridin-3-yl)methyl]cyclobutanamine

• ChemBase ID: 799113
• Molecular Formular: C10H14N2
• Molecular Mass: 162.23156
• Monoisotopic Mass: 162.11569846
• SMILES: C1(CCC1)NCc1cnccc1
• Canonical SMILES: C1CC(C1)NCc1cccnc1
• InChI: InChI=1S/C10H14N2/c1-4-10(5-1)12-8-9-3-2-6-11-7-9/h2-3,6-7,10,12H,1,4-5,8H2
• InChIKey: UFFMGQWREGJEFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(pyridin-3-yl)methyl]cyclobutanamine
• IUPAC Traditional name: N-(pyridin-3-ylmethyl)cyclobutanamine
• Synonyms: N-(pyridin-3-ylmethyl)cyclobutanamine

Database IDs

• CAS Number: 185509-76-6

CALCULATED PROPERTIES

• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9112092
• LogD (pH = 7.4): -0.6520202
• Log P: 1.2240554
• Molar Refractivity: 48.9613 cm^3
• Polarizability: 19.449837 Å^3
• Polar Surface Area: 24.92 Å^2

PROPERTIES

Product Information

• Purity: 98%