5H,6H,7H-cyclopenta[b]pyridin-3-ylmethanamine

• ChemBase ID: 310433
• Molecular Formular: C9H12N2
• Molecular Mass: 148.20498
• Monoisotopic Mass: 148.10004839
• SMILES: n1c2c(cc(c1)CN)CCC2
• Canonical SMILES: NCc1cnc2c(c1)CCC2
• InChI: InChI=1S/C9H12N2/c10-5-7-4-8-2-1-3-9(8)11-6-7/h4,6H,1-3,5,10H2
• InChIKey: DYDVLUHYJPUDJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5H,6H,7H-cyclopenta[b]pyridin-3-ylmethanamine
• IUPAC Traditional name: 5H,6H,7H-cyclopenta[b]pyridin-3-ylmethanamine
• Synonyms: (6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)amine

Database IDs

• CAS Number: 115248-30-1
• MDL Number: MFCD03447593

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2079666
• LogD (pH = 7.4): -1.0607295
• Log P: 0.7629433
• Molar Refractivity: 44.8319 cm^3
• Polarizability: 17.44406 Å^3
• Polar Surface Area: 38.91 Å^2