1-(6-methylpyridin-2-yl)pyrrolidin-3-amine

• ChemBase ID: 274357
• Molecular Formular: C10H15N3
• Molecular Mass: 177.2462
• Monoisotopic Mass: 177.1265975
• SMILES: N1(c2nc(ccc2)C)CC(CC1)N
• Canonical SMILES: NC1CCN(C1)c1cccc(n1)C
• InChI: InChI=1S/C10H15N3/c1-8-3-2-4-10(12-8)13-6-5-9(11)7-13/h2-4,9H,5-7,11H2,1H3
• InChIKey: OAHWQJLKZJPRQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(6-methylpyridin-2-yl)pyrrolidin-3-amine
• IUPAC Traditional name: 1-(6-methylpyridin-2-yl)pyrrolidin-3-amine
• Synonyms: 1-(6-methylpyridin-2-yl)pyrrolidin-3-amine

Database IDs

• MDL Number: MFCD16667504
• PubChem SID: 164330267
• PubChem CID: 23369514

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.643862
• LogD (pH = 7.4): -1.6003262
• Log P: 0.740663
• Molar Refractivity: 53.7511 cm^3
• Polarizability: 20.501135 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.716

Product Information

• Purity: 95%