N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine

• ChemBase ID: 126590
• Molecular Formular: C14H18N2
• Molecular Mass: 214.30612
• Monoisotopic Mass: 214.14699859
• SMILES: c12c(cccc1)[nH]c1c2CC(N(C)C)CC1
• Canonical SMILES: CN(C1CCc2c(C1)c1ccccc1[nH]2)C
• InChI: InChI=1S/C14H18N2/c1-16(2)10-7-8-14-12(9-10)11-5-3-4-6-13(11)15-14/h3-6,10,15H,7-9H2,1-2H3
• InChIKey: WZXJEMXDECWINY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
• IUPAC Traditional name: cyclindole
• Synonyms: Ciclindole

Database IDs

• CAS Number: 32211-97-5
• PubChem SID: 162220920
• PubChem CID: 36082
• Chemspider ID: 33189
• KEGG ID: D03619
• Unique Ingredient Identifier: CXJ7G6BYD7
• Wikipedia Title: Ciclindole

CALCULATED PROPERTIES

• Acid pKa: 17.088308
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.84490323
• LogD (pH = 7.4): 0.10340602
• Log P: 2.6103837
• Molar Refractivity: 68.0545 cm^3
• Polarizability: 27.323448 Å^3
• Polar Surface Area: 19.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral
• Legal Status: Uncontrolled