3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole

C17H25N — CID 106820266

IUPAC3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole
SMILESCC1CC(C2CNc3ccccc32)CC(C)(C)C1
InChIInChI=1S/C17H25N/c1-12-8-13(10-17(2,3)9-12)15-11-18-16-7-5-4-6-14(15)16/h4-7,12-13,15,18H,8-11H2,1-3H3
InChIKeyOCVUOFOTROYWLS-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.66
Rot. Bonds1

About 3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole

3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole (PubChem CID 106820266) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole
PubChem CID106820266
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole
SMILESCC1CC(C2CNc3ccccc32)CC(C)(C)C1
InChIInChI=1S/C17H25N/c1-12-8-13(10-17(2,3)9-12)15-11-18-16-7-5-4-6-14(15)16/h4-7,12-13,15,18H,8-11H2,1-3H3
InChIKeyOCVUOFOTROYWLS-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole with MolForge

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Related Compounds

5-chloro-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole
CID 106986426
7-chloro-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole
CID 106986432
5-nitro-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole
CID 106986424
7-methoxy-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole
CID 106986429
3-(2-methylcyclopentyl)-2,3-dihydro-1H-indole
CID 106820245
3-(4-tert-butylcyclohexyl)-2,3-dihydro-1H-indole
CID 106820253
1-[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 14931742
(6aR,10aS)-5,6,6a,7,8,9,10,10a-octahydrophenanthridine
CID 100962245
(1R,2R,10S,11S)-10,11-dimethyl-9,12-diazapentacyclo[9.7.1.12,10.03,8.013,18]icosa-3,5,7,13,15,17-hexaene
CID 11781265
3-methyl-5-(3,3,5-trimethylcyclohexyl)piperidine
CID 165449953
(4bR,10bR)-4b,5,6,10b,11,12-hexahydroisoquinolino[4,3-c]quinoline
CID 15939421
(1R,2S,11S,12S)-9,13-diazapentacyclo[10.7.1.02,11.03,8.014,19]icosa-3,5,7,14,16,18-hexaene
CID 102272217

Frequently Asked Questions

What is the IUPAC name of 3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole?
The IUPAC name of 3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole (CID 106820266) is 3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole is CC1CC(C2CNc3ccccc32)CC(C)(C)C1.
What is the InChIKey of 3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole?
The InChIKey is OCVUOFOTROYWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-12-8-13(10-17(2,3)9-12)15-11-18-16-7-5-4-6-14(15)16/h4-7,12-13,15,18H,8-11H2,1-3H3.
What are the key properties of 3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole?
3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole has a molecular weight of 243.39 g/mol, XLogP of 4.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 106820266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).