{[6-(2-methylpyrrolidin-1-yl)pyridin-3-yl]methyl}(propan-2-yl)amine

• ChemBase ID: 241723
• Molecular Formular: C14H23N3
• Molecular Mass: 233.35252
• Monoisotopic Mass: 233.18919775
• SMILES: N1(c2ncc(CNC(C)C)cc2)C(CCC1)C
• Canonical SMILES: CC(NCc1ccc(nc1)N1CCCC1C)C
• InChI: InChI=1S/C14H23N3/c1-11(2)15-9-13-6-7-14(16-10-13)17-8-4-5-12(17)3/h6-7,10-12,15H,4-5,8-9H2,1-3H3
• InChIKey: SCTJSXPMWCVPFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[6-(2-methylpyrrolidin-1-yl)pyridin-3-yl]methyl}(propan-2-yl)amine
• IUPAC Traditional name: isopropyl({[6-(2-methylpyrrolidin-1-yl)pyridin-3-yl]methyl})amine
• Synonyms: {[6-(2-methylpyrrolidin-1-yl)pyridin-3-yl]methyl}(propan-2-yl)amine

Database IDs

• MDL Number: MFCD17325071
• PubChem SID: 164297633
• PubChem CID: 55054890

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.5921799
• LogD (pH = 7.4): 0.53342205
• Log P: 2.612179
• Molar Refractivity: 73.0184 cm^3
• Polarizability: 27.955212 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.198

Product Information

• Purity: 95%