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

• ChemBase ID: 234867
• Molecular Formular: C10H15N3
• Molecular Mass: 177.2462
• Monoisotopic Mass: 177.1265975
• SMILES: c1(N2CCCC2)ncccc1NC
• Canonical SMILES: CNc1cccnc1N1CCCC1
• InChI: InChI=1S/C10H15N3/c1-11-9-5-4-6-12-10(9)13-7-2-3-8-13/h4-6,11H,2-3,7-8H2,1H3
• InChIKey: BKAIXXXTRBCARD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD17291856
• PubChem SID: 164290777
• PubChem CID: 63091434

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.1383894
• LogD (pH = 7.4): 1.2020501
• Log P: 1.3366504
• Molar Refractivity: 56.378 cm^3
• Polarizability: 20.187334 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 105 - 107°C
• Hydrophobicity(logP): 1.944

Product Information

• Purity: 95%