5-tert-butyl-3-(3-methylbutan-2-yl)-1H-indole

C17H25N — CID 106985157

IUPAC5-tert-butyl-3-(3-methylbutan-2-yl)-1H-indole
SMILESCC(C)C(C)c1c[nH]c2ccc(C(C)(C)C)cc12
InChIInChI=1S/C17H25N/c1-11(2)12(3)15-10-18-16-8-7-13(9-14(15)16)17(4,5)6/h7-12,18H,1-6H3
InChIKeyHGYOBSHTLIJOFP-UHFFFAOYSA-N
MW243.39 g/mol
LogP5.22
Rot. Bonds2

About 5-tert-butyl-3-(3-methylbutan-2-yl)-1H-indole

5-tert-butyl-3-(3-methylbutan-2-yl)-1H-indole (PubChem CID 106985157) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 5-tert-butyl-3-(3-methylbutan-2-yl)-1H-indole.

Molecular Properties

Compound Name5-tert-butyl-3-(3-methylbutan-2-yl)-1H-indole
PubChem CID106985157
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name5-tert-butyl-3-(3-methylbutan-2-yl)-1H-indole
SMILESCC(C)C(C)c1c[nH]c2ccc(C(C)(C)C)cc12
InChIInChI=1S/C17H25N/c1-11(2)12(3)15-10-18-16-8-7-13(9-14(15)16)17(4,5)6/h7-12,18H,1-6H3
InChIKeyHGYOBSHTLIJOFP-UHFFFAOYSA-N
XLogP5.22
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500243.39
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

5-tert-butyl-3-pentan-2-yl-1H-indole
CID 106985614
5-chloro-3-(3-methylbutan-2-yl)-1H-indole
CID 106985155
5-bromo-3-(3-methylbutan-2-yl)-1H-indole
CID 106985167
5-fluoro-3-(3-methylbutan-2-yl)-1H-indole
CID 106985153
2-amino-2-(5-tert-butyl-1H-indol-3-yl)acetic acid
CID 84632317
1-(5-tert-butyl-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone
CID 96679635
2-(5-tert-butyl-1H-indol-3-yl)-2-oxoacetic acid
CID 82497815
2-(5-tert-butyl-1H-indol-3-yl)-2-methylpropan-1-amine
CID 82497725
2-(5-tert-butyl-1H-indol-3-yl)ethanol
CID 82277489
2-(5-tert-butyl-1H-indol-3-yl)-N-ethylethanamine
CID 96674958
3-propan-2-yl-1H-indol-5-amine
CID 90162786
(2R,3S)-3-(5-fluoro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid
CID 154809785

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(3-methylbutan-2-yl)-1H-indole?
The IUPAC name of 5-tert-butyl-3-(3-methylbutan-2-yl)-1H-indole (CID 106985157) is 5-tert-butyl-3-(3-methylbutan-2-yl)-1H-indole.
What is the SMILES notation for 5-tert-butyl-3-(3-methylbutan-2-yl)-1H-indole?
The canonical SMILES for 5-tert-butyl-3-(3-methylbutan-2-yl)-1H-indole is CC(C)C(C)c1c[nH]c2ccc(C(C)(C)C)cc12.
What is the InChIKey of 5-tert-butyl-3-(3-methylbutan-2-yl)-1H-indole?
The InChIKey is HGYOBSHTLIJOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-11(2)12(3)15-10-18-16-8-7-13(9-14(15)16)17(4,5)6/h7-12,18H,1-6H3.
What are the key properties of 5-tert-butyl-3-(3-methylbutan-2-yl)-1H-indole?
5-tert-butyl-3-(3-methylbutan-2-yl)-1H-indole has a molecular weight of 243.39 g/mol, XLogP of 5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-(3-methylbutan-2-yl)-1H-indole is sourced from PubChem (CID 106985157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).