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

• ChemBase ID: 87488
• Molecular Formular: C9H13N3
• Molecular Mass: 163.21962
• Monoisotopic Mass: 163.11094743
• SMILES: N1(c2ccnc(c2)N)CCCC1
• Canonical SMILES: Nc1nccc(c1)N1CCCC1
• InChI: InChI=1S/C9H13N3/c10-9-7-8(3-4-11-9)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H2,10,11)
• InChIKey: RKWAPJTWMVCWIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyrrolidin-1-yl)pyridin-2-amine
• IUPAC Traditional name: 4-(pyrrolidin-1-yl)pyridin-2-amine
• Synonyms: 4-(Pyrrolidin-1-yl)pyridin-2-amine; 1-(2-Aminopyridin-4-yl)pyrrolidine; 2-Amino-4-(pyrrolidin-1-yl)pyridine

Database IDs

• CAS Number: 722550-01-8
• MDL Number: MFCD08062967
• PubChem SID: 162074531
• PubChem CID: 21934587

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.454805
• LogD (pH = 7.4): -0.4020031
• Log P: 1.0349463
• Molar Refractivity: 50.8846 cm^3
• Polarizability: 18.34014 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Keep Cold/Store under Argon