1-(pyridin-3-yl)pyrrolidin-3-amine

• ChemBase ID: 125578
• Molecular Formular: C9H13N3
• Molecular Mass: 163.21962
• Monoisotopic Mass: 163.11094743
• SMILES: C1CC(N)CN1c1cccnc1
• Canonical SMILES: NC1CCN(C1)c1cccnc1
• InChI: InChI=1S/C9H13N3/c10-8-3-5-12(7-8)9-2-1-4-11-6-9/h1-2,4,6,8H,3,5,7,10H2
• InChIKey: LVGMMVAWLISWJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridin-3-yl)pyrrolidin-3-amine
• IUPAC Traditional name: 1-(pyridin-3-yl)pyrrolidin-3-amine
• Synonyms: ABT-202

Database IDs

• PubChem SID: 162219928
• PubChem CID: 39220800; 17928441
• Chemspider ID: 16397614
• Wikipedia Title: ABT-202

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.285997
• LogD (pH = 7.4): -2.3257077
• Log P: 0.014835305
• Molar Refractivity: 48.8461 cm^3
• Polarizability: 18.734715 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true