12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraene

• ChemBase ID: 129819
• Molecular Formular: C20H26N2
• Molecular Mass: 294.43384
• Monoisotopic Mass: 294.20959884
• SMILES: C1CCCCC1c1ccc2n3CCNC4CCCc(c34)c2c1
• Canonical SMILES: C1CCC(CC1)c1ccc2c(c1)c1CCCC3c1n2CCN3
• InChI: InChI=1S/C20H26N2/c1-2-5-14(6-3-1)15-9-10-19-17(13-15)16-7-4-8-18-20(16)22(19)12-11-21-18/h9-10,13-14,18,21H,1-8,11-12H2
• InChIKey: AUXCHYJDVJZEPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 12-cyclohexyl-1,4-diazatetracyclo[7.6.1.0^5,^1^6.0^1^0,^1^5]hexadeca-9(16),10,12,14-tetraene
• IUPAC Traditional name: tetrindole
• Synonyms: Tetrindole

Database IDs

• PubChem SID: 162224106
• PubChem CID: 160020
• Chemspider ID: 140675
• Wikipedia Title: Tetrindole

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.8046677
• LogD (pH = 7.4): 3.42192
• Log P: 4.706291
• Molar Refractivity: 91.5711 cm^3
• Polarizability: 36.823994 Å^3
• Polar Surface Area: 16.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true