1-(pyridin-2-yl)pyrrolidin-3-amine

• ChemBase ID: 242723
• Molecular Formular: C9H13N3
• Molecular Mass: 163.21962
• Monoisotopic Mass: 163.11094743
• SMILES: N1(c2ncccc2)CC(CC1)N
• Canonical SMILES: NC1CCN(C1)c1ccccn1
• InChI: InChI=1S/C9H13N3/c10-8-4-6-12(7-8)9-3-1-2-5-11-9/h1-3,5,8H,4,6-7,10H2
• InChIKey: WGDHXHKTNGOFPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridin-2-yl)pyrrolidin-3-amine
• IUPAC Traditional name: 1-(pyridin-2-yl)pyrrolidin-3-amine
• Synonyms: 1-(pyridin-2-yl)pyrrolidin-3-amine

Database IDs

• MDL Number: MFCD11894440
• PubChem SID: 164298633
• PubChem CID: 21959403

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.4918478
• LogD (pH = 7.4): -1.7254723
• Log P: 0.6092928
• Molar Refractivity: 49.1596 cm^3
• Polarizability: 18.734697 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.217

Product Information

• Purity: 95%