[2-(1H-indol-3-yl)ethyl]bis(prop-2-en-1-yl)amine

• ChemBase ID: 126858
• Molecular Formular: C16H20N2
• Molecular Mass: 240.3434
• Monoisotopic Mass: 240.16264865
• SMILES: C=CCN(CC=C)CCc1c[nH]c2ccccc12
• Canonical SMILES: C=CCN(CCc1c[nH]c2c1cccc2)CC=C
• InChI: InChI=1S/C16H20N2/c1-3-10-18(11-4-2)12-9-14-13-17-16-8-6-5-7-15(14)16/h3-8,13,17H,1-2,9-12H2
• InChIKey: LQEATNFJCMVKAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(1H-indol-3-yl)ethyl]bis(prop-2-en-1-yl)amine
• IUPAC Traditional name: DALT
• Synonyms: DALT

Database IDs

• PubChem SID: 162221185
• PubChem CID: 24839550
• Chemspider ID: 21250454
• Wikipedia Title: DALT

CALCULATED PROPERTIES

• Polar Surface Area: 19.03 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• Acid pKa: 17.164412
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.66480833
• LogD (pH = 7.4): 2.333079
• Log P: 3.7645655
• Molar Refractivity: 78.7676 cm^3
• Polarizability: 31.400272 Å^3

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral, Insufflated, Rectal, Smoked, IM, IV
• Legal Status: Uncontrolled (but may be covered under the Federal Analogue Act in the United States and under similar bills in other countries)