5-tert-butyl-7-(3-methylbutyl)-1H-indole

C17H25N — CID 166958045

IUPAC5-tert-butyl-7-(3-methylbutyl)-1H-indole
SMILESCC(C)CCc1cc(C(C)(C)C)cc2cc[nH]c12
InChIInChI=1S/C17H25N/c1-12(2)6-7-13-10-15(17(3,4)5)11-14-8-9-18-16(13)14/h8-12,18H,6-7H2,1-5H3
InChIKeyKITYNWGBOZJXFI-UHFFFAOYSA-N
MW243.39 g/mol
LogP5.05
Rot. Bonds3

About 5-tert-butyl-7-(3-methylbutyl)-1H-indole

5-tert-butyl-7-(3-methylbutyl)-1H-indole (PubChem CID 166958045) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 5-tert-butyl-7-(3-methylbutyl)-1H-indole.

Molecular Properties

Compound Name5-tert-butyl-7-(3-methylbutyl)-1H-indole
PubChem CID166958045
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name5-tert-butyl-7-(3-methylbutyl)-1H-indole
SMILESCC(C)CCc1cc(C(C)(C)C)cc2cc[nH]c12
InChIInChI=1S/C17H25N/c1-12(2)6-7-13-10-15(17(3,4)5)11-14-8-9-18-16(13)14/h8-12,18H,6-7H2,1-5H3
InChIKeyKITYNWGBOZJXFI-UHFFFAOYSA-N
XLogP5.05
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500243.39
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-7-(3-methylbutyl)-1H-indole?
The IUPAC name of 5-tert-butyl-7-(3-methylbutyl)-1H-indole (CID 166958045) is 5-tert-butyl-7-(3-methylbutyl)-1H-indole.
What is the SMILES notation for 5-tert-butyl-7-(3-methylbutyl)-1H-indole?
The canonical SMILES for 5-tert-butyl-7-(3-methylbutyl)-1H-indole is CC(C)CCc1cc(C(C)(C)C)cc2cc[nH]c12.
What is the InChIKey of 5-tert-butyl-7-(3-methylbutyl)-1H-indole?
The InChIKey is KITYNWGBOZJXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-12(2)6-7-13-10-15(17(3,4)5)11-14-8-9-18-16(13)14/h8-12,18H,6-7H2,1-5H3.
What are the key properties of 5-tert-butyl-7-(3-methylbutyl)-1H-indole?
5-tert-butyl-7-(3-methylbutyl)-1H-indole has a molecular weight of 243.39 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-7-(3-methylbutyl)-1H-indole is sourced from PubChem (CID 166958045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).