7-(2,2-dimethylpropyl)-1H-indole

C13H17N — CID 69029945

IUPAC7-(2,2-dimethylpropyl)-1H-indole
SMILESCC(C)(C)Cc1cccc2cc[nH]c12
InChIInChI=1S/C13H17N/c1-13(2,3)9-11-6-4-5-10-7-8-14-12(10)11/h4-8,14H,9H2,1-3H3
InChIKeyXRBGXGNTYFQLGM-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.76
Rot. Bonds1

About 7-(2,2-dimethylpropyl)-1H-indole

7-(2,2-dimethylpropyl)-1H-indole (PubChem CID 69029945) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 7-(2,2-dimethylpropyl)-1H-indole.

Molecular Properties

Compound Name7-(2,2-dimethylpropyl)-1H-indole
PubChem CID69029945
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name7-(2,2-dimethylpropyl)-1H-indole
SMILESCC(C)(C)Cc1cccc2cc[nH]c12
InChIInChI=1S/C13H17N/c1-13(2,3)9-11-6-4-5-10-7-8-14-12(10)11/h4-8,14H,9H2,1-3H3
InChIKeyXRBGXGNTYFQLGM-UHFFFAOYSA-N
XLogP3.76
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-(2,2-dimethylpropyl)-1H-indole?
The IUPAC name of 7-(2,2-dimethylpropyl)-1H-indole (CID 69029945) is 7-(2,2-dimethylpropyl)-1H-indole.
What is the SMILES notation for 7-(2,2-dimethylpropyl)-1H-indole?
The canonical SMILES for 7-(2,2-dimethylpropyl)-1H-indole is CC(C)(C)Cc1cccc2cc[nH]c12.
What is the InChIKey of 7-(2,2-dimethylpropyl)-1H-indole?
The InChIKey is XRBGXGNTYFQLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-13(2,3)9-11-6-4-5-10-7-8-14-12(10)11/h4-8,14H,9H2,1-3H3.
What are the key properties of 7-(2,2-dimethylpropyl)-1H-indole?
7-(2,2-dimethylpropyl)-1H-indole has a molecular weight of 187.29 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-dimethylpropyl)-1H-indole is sourced from PubChem (CID 69029945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).