[2-(1H-indol-3-yl)ethyl](propan-2-yl)propylamine

• ChemBase ID: 129137
• Molecular Formular: C16H24N2
• Molecular Mass: 244.37516
• Monoisotopic Mass: 244.19394878
• SMILES: CC(C)N(CCC)CCc1c[nH]c2ccccc12
• Canonical SMILES: CCCN(C(C)C)CCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C16H24N2/c1-4-10-18(13(2)3)11-9-14-12-17-16-8-6-5-7-15(14)16/h5-8,12-13,17H,4,9-11H2,1-3H3
• InChIKey: OFXPLOPRCQJJFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(1H-indol-3-yl)ethyl](propan-2-yl)propylamine
• IUPAC Traditional name: propylisopropyltryptamine
• Synonyms: Propylisopropyltryptamine

Database IDs

• CAS Number: 1354632-00-0
• PubChem SID: 162223436
• PubChem CID: 57464898
• Chemspider ID: 21106369
• Wikipedia Title: Propylisopropyltryptamine

CALCULATED PROPERTIES

• Acid pKa: 17.16457
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.4642027
• LogD (pH = 7.4): 0.9308008
• Log P: 3.9547791
• Molar Refractivity: 78.8822 cm^3
• Polarizability: 31.851603 Å^3
• Polar Surface Area: 19.03 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true