N2-(2,2-dimethylpyrrolidin-3-yl)-N1-(4-methylpyridin-2-yl)ethane-1,2-diamine

• ChemBase ID: 833440
• Molecular Formular: C14H24N4
• Molecular Mass: 248.36716
• Monoisotopic Mass: 248.20009679
• SMILES: C1(NCCC1NCCNc1nccc(c1)C)(C)C
• Canonical SMILES: Cc1ccnc(c1)NCCNC1CCNC1(C)C
• InChI: InChI=1S/C14H24N4/c1-11-4-6-16-13(10-11)17-9-8-15-12-5-7-18-14(12,2)3/h4,6,10,12,15,18H,5,7-9H2,1-3H3,(H,16,17)
• InChIKey: UQXVBUWTNXGLDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N2-(2,2-dimethylpyrrolidin-3-yl)-N1-(4-methylpyridin-2-yl)ethane-1,2-diamine
• IUPAC Traditional name: N2-(2,2-dimethylpyrrolidin-3-yl)-N1-(4-methylpyridin-2-yl)ethane-1,2-diamine
• Synonyms: N-(2,2-dimethylpyrrolidin-3-yl)-N'-(4-methylpyridin-2-yl)ethane-1,2-diamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.542817
• LogD (pH = 7.4): -1.7400364
• Log P: 1.2527772
• Molar Refractivity: 76.522 cm^3
• Polarizability: 29.403053 Å^3
• Polar Surface Area: 48.98 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 1.73
• LOG S: -1.48
• Polar Surface Area: 48.98 Å^2
• Rotatable Bonds: 5