3-(2,2-dimethylhexyl)-1H-indole

C16H23N — CID 70819800

IUPAC3-(2,2-dimethylhexyl)-1H-indole
SMILESCCCCC(C)(C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H23N/c1-4-5-10-16(2,3)11-13-12-17-15-9-7-6-8-14(13)15/h6-9,12,17H,4-5,10-11H2,1-3H3
InChIKeyXXKZWIAWEVUOLY-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.93
Rot. Bonds5

About 3-(2,2-dimethylhexyl)-1H-indole

3-(2,2-dimethylhexyl)-1H-indole (PubChem CID 70819800) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 3-(2,2-dimethylhexyl)-1H-indole.

Molecular Properties

Compound Name3-(2,2-dimethylhexyl)-1H-indole
PubChem CID70819800
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name3-(2,2-dimethylhexyl)-1H-indole
SMILESCCCCC(C)(C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H23N/c1-4-5-10-16(2,3)11-13-12-17-15-9-7-6-8-14(13)15/h6-9,12,17H,4-5,10-11H2,1-3H3
InChIKeyXXKZWIAWEVUOLY-UHFFFAOYSA-N
XLogP4.93
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

3-heptyl-1H-indole
CID 15360907
3-(2,4-dimethyl-2-propyloctyl)-1H-indole
CID 67807643
N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]pentanamide
CID 113086286
2-amino-2-(1H-indol-3-ylmethyl)octanoic acid;dihydrochloride
CID 174428555
3-(4,4-dimethylpentyl)-1H-indole
CID 58756842
3-(octacosoxymethyl)-1H-indole
CID 11512197
3-ethyl-1H-indole;methanamine
CID 142222050
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
1-(dimethylamino)-2-(1H-indol-3-yl)ethane-1,1-diol
CID 172578399
diethyl 2-(1H-indol-3-ylmethyl)-2-methylpropanedioate
CID 12724509
3-(2-butoxyethoxymethyl)-1H-indole
CID 170026561
3-(2-ethyloctyl)-1H-indole
CID 126495753

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylhexyl)-1H-indole?
The IUPAC name of 3-(2,2-dimethylhexyl)-1H-indole (CID 70819800) is 3-(2,2-dimethylhexyl)-1H-indole.
What is the SMILES notation for 3-(2,2-dimethylhexyl)-1H-indole?
The canonical SMILES for 3-(2,2-dimethylhexyl)-1H-indole is CCCCC(C)(C)Cc1c[nH]c2ccccc12.
What is the InChIKey of 3-(2,2-dimethylhexyl)-1H-indole?
The InChIKey is XXKZWIAWEVUOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-4-5-10-16(2,3)11-13-12-17-15-9-7-6-8-14(13)15/h6-9,12,17H,4-5,10-11H2,1-3H3.
What are the key properties of 3-(2,2-dimethylhexyl)-1H-indole?
3-(2,2-dimethylhexyl)-1H-indole has a molecular weight of 229.37 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylhexyl)-1H-indole is sourced from PubChem (CID 70819800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).