[6-(pyrrolidin-1-yl)pyridin-3-yl]methanamine

• ChemBase ID: 48558
• Molecular Formular: C10H15N3
• Molecular Mass: 177.2462
• Monoisotopic Mass: 177.1265975
• SMILES: c1(N2CCCC2)ncc(cc1)CN
• Canonical SMILES: NCc1ccc(nc1)N1CCCC1
• InChI: InChI=1S/C10H15N3/c11-7-9-3-4-10(12-8-9)13-5-1-2-6-13/h3-4,8H,1-2,5-7,11H2
• InChIKey: NVXFTULJPIFMJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(pyrrolidin-1-yl)pyridin-3-yl]methanamine
• IUPAC Traditional name: [6-(pyrrolidin-1-yl)pyridin-3-yl]methanamine
• Synonyms: (6-pyrrolidin-1-ylpyridin-3-yl)methylamine; [6-(1-Pyrrolidinyl)-3-pyridinyl]methanamine

Database IDs

• MDL Number: MFCD09049100
• PubChem SID: 162053321
• PubChem CID: 16776654

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0099225
• LogD (pH = 7.4): -0.8746483
• Log P: 0.98964065
• Molar Refractivity: 54.6576 cm^3
• Polarizability: 20.574581 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 57 - 59°C
• Hydrophobicity(logP): 0.945

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%