2-tert-butyl-3,7-dimethyl-1H-indole

C14H19N — CID 59397804

IUPAC2-tert-butyl-3,7-dimethyl-1H-indole
SMILESCc1c(C(C)(C)C)[nH]c2c(C)cccc12
InChIInChI=1S/C14H19N/c1-9-7-6-8-11-10(2)13(14(3,4)5)15-12(9)11/h6-8,15H,1-5H3
InChIKeyMYOLLFUNPRNHLV-UHFFFAOYSA-N
MW201.31 g/mol
LogP4.08
Rot. Bonds

About 2-tert-butyl-3,7-dimethyl-1H-indole

2-tert-butyl-3,7-dimethyl-1H-indole (PubChem CID 59397804) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-tert-butyl-3,7-dimethyl-1H-indole.

Molecular Properties

Compound Name2-tert-butyl-3,7-dimethyl-1H-indole
PubChem CID59397804
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name2-tert-butyl-3,7-dimethyl-1H-indole
SMILESCc1c(C(C)(C)C)[nH]c2c(C)cccc12
InChIInChI=1S/C14H19N/c1-9-7-6-8-11-10(2)13(14(3,4)5)15-12(9)11/h6-8,15H,1-5H3
InChIKeyMYOLLFUNPRNHLV-UHFFFAOYSA-N
XLogP4.08
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,7-dimethyl-1H-indole?
The IUPAC name of 2-tert-butyl-3,7-dimethyl-1H-indole (CID 59397804) is 2-tert-butyl-3,7-dimethyl-1H-indole.
What is the SMILES notation for 2-tert-butyl-3,7-dimethyl-1H-indole?
The canonical SMILES for 2-tert-butyl-3,7-dimethyl-1H-indole is Cc1c(C(C)(C)C)[nH]c2c(C)cccc12.
What is the InChIKey of 2-tert-butyl-3,7-dimethyl-1H-indole?
The InChIKey is MYOLLFUNPRNHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-9-7-6-8-11-10(2)13(14(3,4)5)15-12(9)11/h6-8,15H,1-5H3.
What are the key properties of 2-tert-butyl-3,7-dimethyl-1H-indole?
2-tert-butyl-3,7-dimethyl-1H-indole has a molecular weight of 201.31 g/mol, XLogP of 4.08, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,7-dimethyl-1H-indole is sourced from PubChem (CID 59397804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).