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

• ChemBase ID: 255136
• Molecular Formular: C9H13N3
• Molecular Mass: 163.21962
• Monoisotopic Mass: 163.11094743
• SMILES: N1(c2cnc(N)cc2)CCCC1
• Canonical SMILES: Nc1ccc(cn1)N1CCCC1
• InChI: InChI=1S/C9H13N3/c10-9-4-3-8(7-11-9)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H2,10,11)
• InChIKey: JPBRHMIVZVUWCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(pyrrolidin-1-yl)pyridin-2-amine
• IUPAC Traditional name: 5-(pyrrolidin-1-yl)pyridin-2-amine
• Synonyms: 5-pyrrolidin-1-ylpyridin-2-amine; 5-(pyrrolidin-1-yl)pyridin-2-amine

Database IDs

• CAS Number: 937623-38-6
• MDL Number: MFCD09051806
• PubChem SID: 164311046
• PubChem CID: 16779314

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.10961553
• LogD (pH = 7.4): 0.9261872
• Log P: 1.0349463
• Molar Refractivity: 50.8846 cm^3
• Polarizability: 18.343487 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 91 - 93°C
• Hydrophobicity(logP): 1.666

Product Information

• Purity: 95%; 98%