[1-(1H-indol-3-yl)-2-(pyrrolidin-1-yl)ethyl](methyl)amine

• ChemBase ID: 799835
• Molecular Formular: C15H21N3
• Molecular Mass: 243.34734
• Monoisotopic Mass: 243.17354769
• SMILES: N(C)C(CN1CCCC1)c1c[nH]c2c1cccc2
• Canonical SMILES: CNC(c1c[nH]c2c1cccc2)CN1CCCC1
• InChI: InChI=1S/C15H21N3/c1-16-15(11-18-8-4-5-9-18)13-10-17-14-7-3-2-6-12(13)14/h2-3,6-7,10,15-17H,4-5,8-9,11H2,1H3
• InChIKey: LZHMELKNPUGVRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(1H-indol-3-yl)-2-(pyrrolidin-1-yl)ethyl](methyl)amine
• IUPAC Traditional name: [1-(1H-indol-3-yl)-2-(pyrrolidin-1-yl)ethyl](methyl)amine
• Synonyms: [1-(1H-Indol-3-yl)-2-pyrrolidin-1-yl-ethyl]-methyl-amine

CALCULATED PROPERTIES

• Acid pKa: 15.916142
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.5173318
• LogD (pH = 7.4): -0.2289038
• Log P: 2.1145656
• Molar Refractivity: 75.6228 cm^3
• Polarizability: 30.847687 Å^3
• Polar Surface Area: 31.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%