3-(2-ethyloctyl)-1H-indole

C18H27N — CID 126495753

IUPAC3-(2-ethyloctyl)-1H-indole
SMILESCCCCCCC(CC)Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H27N/c1-3-5-6-7-10-15(4-2)13-16-14-19-18-12-9-8-11-17(16)18/h8-9,11-12,14-15,19H,3-7,10,13H2,1-2H3
InChIKeyFPOBGIMJAJXKEX-UHFFFAOYSA-N
MW257.42 g/mol
LogP5.71
Rot. Bonds8

About 3-(2-ethyloctyl)-1H-indole

3-(2-ethyloctyl)-1H-indole (PubChem CID 126495753) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 3-(2-ethyloctyl)-1H-indole.

Molecular Properties

Compound Name3-(2-ethyloctyl)-1H-indole
PubChem CID126495753
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name3-(2-ethyloctyl)-1H-indole
SMILESCCCCCCC(CC)Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H27N/c1-3-5-6-7-10-15(4-2)13-16-14-19-18-12-9-8-11-17(16)18/h8-9,11-12,14-15,19H,3-7,10,13H2,1-2H3
InChIKeyFPOBGIMJAJXKEX-UHFFFAOYSA-N
XLogP5.71
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.42
LogP ≤ 55.71
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-[1-(1H-indol-3-yl)propan-2-yl]-N-methylbutan-1-amine
CID 166038734
3-heptyl-1H-indole
CID 15360907
1-(1H-indol-3-yl)butan-2-amine
CID 8367
2-(2-ethylhexoxycarbonylamino)-3-(1H-indol-3-yl)propanoic acid
CID 174207128
2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pentadecanamide
CID 90754390
(2S)-1-(1H-indol-3-yl)-N-methylbutan-2-amine
CID 96657140
octyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
CID 91979300
hexyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate
CID 11601701
dodecyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate
CID 54155349
3-(octacosoxymethyl)-1H-indole
CID 11512197
2-amino-3-(1H-indol-3-yl)propanoic acid;tetrabutylphosphanium
CID 174977427
3-(2-fluoropropyl)-1H-indole
CID 142409179

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyloctyl)-1H-indole?
The IUPAC name of 3-(2-ethyloctyl)-1H-indole (CID 126495753) is 3-(2-ethyloctyl)-1H-indole.
What is the SMILES notation for 3-(2-ethyloctyl)-1H-indole?
The canonical SMILES for 3-(2-ethyloctyl)-1H-indole is CCCCCCC(CC)Cc1c[nH]c2ccccc12.
What is the InChIKey of 3-(2-ethyloctyl)-1H-indole?
The InChIKey is FPOBGIMJAJXKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-3-5-6-7-10-15(4-2)13-16-14-19-18-12-9-8-11-17(16)18/h8-9,11-12,14-15,19H,3-7,10,13H2,1-2H3.
What are the key properties of 3-(2-ethyloctyl)-1H-indole?
3-(2-ethyloctyl)-1H-indole has a molecular weight of 257.42 g/mol, XLogP of 5.71, 8 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyloctyl)-1H-indole is sourced from PubChem (CID 126495753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).