[(1-ethylpyrrolidin-2-yl)methyl][(1-methyl-1H-indol-2-yl)methyl]amine

• ChemBase ID: 15635
• Molecular Formular: C17H25N3
• Molecular Mass: 271.4005
• Monoisotopic Mass: 271.20484782
• SMILES: c1ccc2c(c1)n(c(c2)CNCC1CCCN1CC)C
• Canonical SMILES: CCN1CCCC1CNCc1cc2c(n1C)cccc2
• InChI: InChI=1S/C17H25N3/c1-3-20-10-6-8-15(20)12-18-13-16-11-14-7-4-5-9-17(14)19(16)2/h4-5,7,9,11,15,18H,3,6,8,10,12-13H2,1-2H3
• InChIKey: ZZKBQLPSJLJFEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1-ethylpyrrolidin-2-yl)methyl][(1-methyl-1H-indol-2-yl)methyl]amine
• IUPAC Traditional name: [(1-ethylpyrrolidin-2-yl)methyl][(1-methylindol-2-yl)methyl]amine
• Synonyms: 1-Ethylpyrrolidin-2-yl)methyl][(1-methyl-1H-indol-2-yl)methyl]amine

Database IDs

• MDL Number: MFCD06800714
• PubChem SID: 160978942
• PubChem CID: 23004701

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9724739
• LogD (pH = 7.4): 0.47223616
• Log P: 2.6150508
• Molar Refractivity: 85.1456 cm^3
• Polarizability: 34.45647 Å^3
• Polar Surface Area: 20.2 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false