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

C15H21N — CID 23522829

IUPAC2-(2,3,3-trimethylbutyl)-1H-indole
SMILESCC(Cc1cc2ccccc2[nH]1)C(C)(C)C
InChIInChI=1S/C15H21N/c1-11(15(2,3)4)9-13-10-12-7-5-6-8-14(12)16-13/h5-8,10-11,16H,9H2,1-4H3
InChIKeyUVEWPJNYHGTZFO-UHFFFAOYSA-N
MW215.34 g/mol
LogP4.39
Rot. Bonds2

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

2-(2,3,3-trimethylbutyl)-1H-indole (PubChem CID 23522829) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-(2,3,3-trimethylbutyl)-1H-indole.

Molecular Properties

Compound Name2-(2,3,3-trimethylbutyl)-1H-indole
PubChem CID23522829
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name2-(2,3,3-trimethylbutyl)-1H-indole
SMILESCC(Cc1cc2ccccc2[nH]1)C(C)(C)C
InChIInChI=1S/C15H21N/c1-11(15(2,3)4)9-13-10-12-7-5-6-8-14(12)16-13/h5-8,10-11,16H,9H2,1-4H3
InChIKeyUVEWPJNYHGTZFO-UHFFFAOYSA-N
XLogP4.39
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

3-(1H-indol-2-yl)-2-methylpropanoic acid
CID 22476899
4-(1H-indol-2-yl)-2-methylbutan-2-amine
CID 116995131
1-(1H-indol-2-yl)butan-2-amine
CID 54026892
2-(4-methylpentyl)-1H-indole
CID 18761636
2-(4-fluoropentyl)-1H-indole
CID 170987599
N-(1H-indol-2-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 102184526
N'-[1-(1H-indol-2-yl)propan-2-yl]ethanimidamide
CID 142165156
2-(1H-indol-2-yl)-1-phenylethanol
CID 102199311
2-(2-fluoroethyl)-1H-indole
CID 142633825
2-heptyl-1H-indole
CID 3719004
2-hexyl-1H-indole
CID 14299246
dimethyl 2-(1H-indol-2-ylmethyl)propanedioate
CID 132519173

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3-trimethylbutyl)-1H-indole?
The IUPAC name of 2-(2,3,3-trimethylbutyl)-1H-indole (CID 23522829) is 2-(2,3,3-trimethylbutyl)-1H-indole.
What is the SMILES notation for 2-(2,3,3-trimethylbutyl)-1H-indole?
The canonical SMILES for 2-(2,3,3-trimethylbutyl)-1H-indole is CC(Cc1cc2ccccc2[nH]1)C(C)(C)C.
What is the InChIKey of 2-(2,3,3-trimethylbutyl)-1H-indole?
The InChIKey is UVEWPJNYHGTZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-11(15(2,3)4)9-13-10-12-7-5-6-8-14(12)16-13/h5-8,10-11,16H,9H2,1-4H3.
What are the key properties of 2-(2,3,3-trimethylbutyl)-1H-indole?
2-(2,3,3-trimethylbutyl)-1H-indole has a molecular weight of 215.34 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3-trimethylbutyl)-1H-indole is sourced from PubChem (CID 23522829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).