5-tert-butyl-1,3-dimethylindole

C14H19N — CID 82491537

IUPAC5-tert-butyl-1,3-dimethylindole
SMILESCc1cn(C)c2ccc(C(C)(C)C)cc12
InChIInChI=1S/C14H19N/c1-10-9-15(5)13-7-6-11(8-12(10)13)14(2,3)4/h6-9H,1-5H3
InChIKeyWGMVFOMUVAQREL-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.78
Rot. Bonds

About 5-tert-butyl-1,3-dimethylindole

5-tert-butyl-1,3-dimethylindole (PubChem CID 82491537) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 5-tert-butyl-1,3-dimethylindole.

Molecular Properties

Compound Name5-tert-butyl-1,3-dimethylindole
PubChem CID82491537
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name5-tert-butyl-1,3-dimethylindole
SMILESCc1cn(C)c2ccc(C(C)(C)C)cc12
InChIInChI=1S/C14H19N/c1-10-9-15(5)13-7-6-11(8-12(10)13)14(2,3)4/h6-9H,1-5H3
InChIKeyWGMVFOMUVAQREL-UHFFFAOYSA-N
XLogP3.78
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,3-dimethylindole?
The IUPAC name of 5-tert-butyl-1,3-dimethylindole (CID 82491537) is 5-tert-butyl-1,3-dimethylindole.
What is the SMILES notation for 5-tert-butyl-1,3-dimethylindole?
The canonical SMILES for 5-tert-butyl-1,3-dimethylindole is Cc1cn(C)c2ccc(C(C)(C)C)cc12.
What is the InChIKey of 5-tert-butyl-1,3-dimethylindole?
The InChIKey is WGMVFOMUVAQREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-10-9-15(5)13-7-6-11(8-12(10)13)14(2,3)4/h6-9H,1-5H3.
What are the key properties of 5-tert-butyl-1,3-dimethylindole?
5-tert-butyl-1,3-dimethylindole has a molecular weight of 201.31 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,3-dimethylindole is sourced from PubChem (CID 82491537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).