2-(2-ethyl-2,7-dimethylnonyl)-1H-indole

C21H33N — CID 173251824

IUPAC2-(2-ethyl-2,7-dimethylnonyl)-1H-indole
SMILESCCC(C)CCCCC(C)(CC)Cc1cc2ccccc2[nH]1
InChIInChI=1S/C21H33N/c1-5-17(3)11-9-10-14-21(4,6-2)16-19-15-18-12-7-8-13-20(18)22-19/h7-8,12-13,15,17,22H,5-6,9-11,14,16H2,1-4H3
InChIKeyLYBIBBWTLYDODI-UHFFFAOYSA-N
MW299.50 g/mol
LogP6.73
Rot. Bonds9

About 2-(2-ethyl-2,7-dimethylnonyl)-1H-indole

2-(2-ethyl-2,7-dimethylnonyl)-1H-indole (PubChem CID 173251824) has the molecular formula C21H33N and a molecular weight of 299.50 g/mol. Its IUPAC name is 2-(2-ethyl-2,7-dimethylnonyl)-1H-indole.

Molecular Properties

Compound Name2-(2-ethyl-2,7-dimethylnonyl)-1H-indole
PubChem CID173251824
Molecular FormulaC21H33N
Molecular Weight299.50 g/mol
Exact Mass299.26
IUPAC Name2-(2-ethyl-2,7-dimethylnonyl)-1H-indole
SMILESCCC(C)CCCCC(C)(CC)Cc1cc2ccccc2[nH]1
InChIInChI=1S/C21H33N/c1-5-17(3)11-9-10-14-21(4,6-2)16-19-15-18-12-7-8-13-20(18)22-19/h7-8,12-13,15,17,22H,5-6,9-11,14,16H2,1-4H3
InChIKeyLYBIBBWTLYDODI-UHFFFAOYSA-N
XLogP6.73
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.50
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1H-indol-2-ylmethyl)-2-methylbutan-1-amine
CID 115763447
2-(2,3,3-trimethylbutyl)-1H-indole
CID 23522829
2-(4-methylpentyl)-1H-indole
CID 18761636
2-heptyl-1H-indole
CID 3719004
2-hexyl-1H-indole
CID 14299246
2-(4-fluoropentyl)-1H-indole
CID 170987599
2-(2-methyl-2-piperazin-1-ylpropyl)-1H-indole
CID 116995172
1-(1H-indol-2-yl)butan-2-amine
CID 54026892
4-(1H-indol-2-yl)-2-methylbutan-2-amine
CID 116995131
2,2,13-trimethylpentadecane
CID 150334228
N-(1H-indol-2-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 102184526
5-methylheptylbenzene
CID 564254

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-2,7-dimethylnonyl)-1H-indole?
The IUPAC name of 2-(2-ethyl-2,7-dimethylnonyl)-1H-indole (CID 173251824) is 2-(2-ethyl-2,7-dimethylnonyl)-1H-indole.
What is the SMILES notation for 2-(2-ethyl-2,7-dimethylnonyl)-1H-indole?
The canonical SMILES for 2-(2-ethyl-2,7-dimethylnonyl)-1H-indole is CCC(C)CCCCC(C)(CC)Cc1cc2ccccc2[nH]1.
What is the InChIKey of 2-(2-ethyl-2,7-dimethylnonyl)-1H-indole?
The InChIKey is LYBIBBWTLYDODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N/c1-5-17(3)11-9-10-14-21(4,6-2)16-19-15-18-12-7-8-13-20(18)22-19/h7-8,12-13,15,17,22H,5-6,9-11,14,16H2,1-4H3.
What are the key properties of 2-(2-ethyl-2,7-dimethylnonyl)-1H-indole?
2-(2-ethyl-2,7-dimethylnonyl)-1H-indole has a molecular weight of 299.50 g/mol, XLogP of 6.73, 9 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-2,7-dimethylnonyl)-1H-indole is sourced from PubChem (CID 173251824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).