4-(2,2-dimethylpropyl)-1-methylindole

C14H19N — CID 69029951

IUPAC4-(2,2-dimethylpropyl)-1-methylindole
SMILESCn1ccc2c(CC(C)(C)C)cccc21
InChIInChI=1S/C14H19N/c1-14(2,3)10-11-6-5-7-13-12(11)8-9-15(13)4/h5-9H,10H2,1-4H3
InChIKeyANFNGPOYHDQVTO-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.77
Rot. Bonds1

About 4-(2,2-dimethylpropyl)-1-methylindole

4-(2,2-dimethylpropyl)-1-methylindole (PubChem CID 69029951) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-1-methylindole.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-1-methylindole
PubChem CID69029951
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name4-(2,2-dimethylpropyl)-1-methylindole
SMILESCn1ccc2c(CC(C)(C)C)cccc21
InChIInChI=1S/C14H19N/c1-14(2,3)10-11-6-5-7-13-12(11)8-9-15(13)4/h5-9H,10H2,1-4H3
InChIKeyANFNGPOYHDQVTO-UHFFFAOYSA-N
XLogP3.77
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-1-methylindole?
The IUPAC name of 4-(2,2-dimethylpropyl)-1-methylindole (CID 69029951) is 4-(2,2-dimethylpropyl)-1-methylindole.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-1-methylindole?
The canonical SMILES for 4-(2,2-dimethylpropyl)-1-methylindole is Cn1ccc2c(CC(C)(C)C)cccc21.
What is the InChIKey of 4-(2,2-dimethylpropyl)-1-methylindole?
The InChIKey is ANFNGPOYHDQVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-14(2,3)10-11-6-5-7-13-12(11)8-9-15(13)4/h5-9H,10H2,1-4H3.
What are the key properties of 4-(2,2-dimethylpropyl)-1-methylindole?
4-(2,2-dimethylpropyl)-1-methylindole has a molecular weight of 201.31 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-1-methylindole is sourced from PubChem (CID 69029951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).