5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole

C17H29N — CID 58792413

IUPAC5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole
SMILESCC1CCC2C(C1)C1CC3CCCCC3C1N2C
InChIInChI=1S/C17H29N/c1-11-7-8-16-14(9-11)15-10-12-5-3-4-6-13(12)17(15)18(16)2/h11-17H,3-10H2,1-2H3
InChIKeyOUSCUKNWOQPXDE-UHFFFAOYSA-N
MW247.43 g/mol
LogP3.93
Rot. Bonds

About 5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole

5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole (PubChem CID 58792413) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole.

Molecular Properties

Compound Name5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole
PubChem CID58792413
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole
SMILESCC1CCC2C(C1)C1CC3CCCCC3C1N2C
InChIInChI=1S/C17H29N/c1-11-7-8-16-14(9-11)15-10-12-5-3-4-6-13(12)17(15)18(16)2/h11-17H,3-10H2,1-2H3
InChIKeyOUSCUKNWOQPXDE-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole with MolForge

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Related Compounds

5-(4-fluorocyclohexyl)-2-methyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole
CID 140491540
8-methyl-5-[[2-(trifluoromethyl)cyclohexyl]methyl]-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole
CID 162697071
2-methyl-5-[[2-(trifluoromethyl)cyclohexyl]methyl]-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole
CID 162697073
(1R,4S,7R,11R)-2-methyl-2-azatricyclo[5.3.1.04,11]undecane
CID 146166007
2,3-dimethyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-indeno[2,1-b]pyrrole
CID 18684732
1,2-dimethyl-3,3a,4,4a,5,6,7,8,8a,8b-decahydro-2H-indeno[1,2-b]pyrrole
CID 18684734
10-(1-cyclopentylsilolan-1-yl)-5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole
CID 57608961
dimethyl-(5-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-(2,3,4,5-tetramethylcyclopentyl)silane
CID 57972468
tert-butyl-[(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethylsilyl]azanide;carbanide;zirconium(4+)
CID 58594399
cyclopentyl-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane
CID 58792412
8,9-Ditert-butyl-8-azatetracyclo[9.2.1.02,7.02,10]tetradecane
CID 58849835
1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 58975400

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole?
The IUPAC name of 5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole (CID 58792413) is 5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole.
What is the SMILES notation for 5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole?
The canonical SMILES for 5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole is CC1CCC2C(C1)C1CC3CCCCC3C1N2C.
What is the InChIKey of 5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole?
The InChIKey is OUSCUKNWOQPXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-11-7-8-16-14(9-11)15-10-12-5-3-4-6-13(12)17(15)18(16)2/h11-17H,3-10H2,1-2H3.
What are the key properties of 5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole?
5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole has a molecular weight of 247.43 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole is sourced from PubChem (CID 58792413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).