2-[3-(1,2-dimethyl-1H-indol-3-yl)-2,2-dimethylcyclopropyl]ethan-1-amine

• ChemBase ID: 203399
• Molecular Formular: C17H24N2
• Molecular Mass: 256.38586
• Monoisotopic Mass: 256.19394878
• SMILES: C1(c2c(n(c3c2cccc3)C)C)C(C1CCN)(C)C
• Canonical SMILES: NCCC1C(C1(C)C)c1c(C)n(c2c1cccc2)C
• InChI: InChI=1S/C17H24N2/c1-11-15(16-13(9-10-18)17(16,2)3)12-7-5-6-8-14(12)19(11)4/h5-8,13,16H,9-10,18H2,1-4H3
• InChIKey: CSWYSAZUCZBEDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(1,2-dimethyl-1H-indol-3-yl)-2,2-dimethylcyclopropyl]ethan-1-amine
• IUPAC Traditional name: 2-[3-(1,2-dimethylindol-3-yl)-2,2-dimethylcyclopropyl]ethanamine

Database IDs

• PubChem SID: 164259309
• PubChem CID: 3752176

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.027832692
• LogD (pH = 7.4): 0.45336232
• Log P: 3.051622
• Molar Refractivity: 81.339 cm^3
• Polarizability: 32.77826 Å^3
• Polar Surface Area: 30.95 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds