N-(1H-indol-7-ylmethyl)-N-(pyridin-2-ylmethyl)cyclopropanamine

• ChemBase ID: 737383
• Molecular Formular: C18H19N3
• Molecular Mass: 277.36356
• Monoisotopic Mass: 277.15789762
• SMILES: N(C1CC1)(Cc1c2[nH]ccc2ccc1)Cc1ncccc1
• Canonical SMILES: c1ccc(nc1)CN(C1CC1)Cc1cccc2c1[nH]cc2
• InChI: InChI=1S/C18H19N3/c1-2-10-19-16(6-1)13-21(17-7-8-17)12-15-5-3-4-14-9-11-20-18(14)15/h1-6,9-11,17,20H,7-8,12-13H2
• InChIKey: AKFUSLXGWLWXFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1H-indol-7-ylmethyl)-N-(pyridin-2-ylmethyl)cyclopropanamine
• IUPAC Traditional name: N-(1H-indol-7-ylmethyl)-N-(pyridin-2-ylmethyl)cyclopropanamine
• Synonyms: N-(1H-indol-7-ylmethyl)-N-(pyridin-2-ylmethyl)cyclopropanamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.126072
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0256263
• LogD (pH = 7.4): 2.6828752
• Log P: 3.0672417
• Molar Refractivity: 84.8319 cm^3
• Polarizability: 34.330025 Å^3
• Polar Surface Area: 31.92 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.65
• LOG S: -1.18
• Polar Surface Area: 31.92 Å^2
• Rotatable Bonds: 5