methyl({[6-(pyrrolidin-1-yl)pyridin-2-yl]methyl})amine

• ChemBase ID: 101215
• Molecular Formular: C11H17N3
• Molecular Mass: 191.27278
• Monoisotopic Mass: 191.14224756
• SMILES: c1(nc(CNC)ccc1)N1CCCC1
• Canonical SMILES: CNCc1cccc(n1)N1CCCC1
• InChI: InChI=1S/C11H17N3/c1-12-9-10-5-4-6-11(13-10)14-7-2-3-8-14/h4-6,12H,2-3,7-9H2,1H3
• InChIKey: GGQYFTXRIMPZQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[6-(pyrrolidin-1-yl)pyridin-2-yl]methyl})amine
• IUPAC Traditional name: methyl({[6-(pyrrolidin-1-yl)pyridin-2-yl]methyl})amine
• Synonyms: N-methyl-N-[(6-pyrrolidin-1-ylpyridin-2-yl)methyl]amine

Database IDs

• CAS Number: 884507-14-6
• MDL Number: MFCD09025832
• PubChem SID: 162087976
• PubChem CID: 24229485

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2927215
• LogD (pH = 7.4): 0.38671508
• Log P: 1.503693
• Molar Refractivity: 58.91 cm^3
• Polarizability: 22.420149 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%