6-cyclobutyl-1-(2-methylpropyl)indole

C16H21N — CID 166912133

IUPAC6-cyclobutyl-1-(2-methylpropyl)indole
SMILESCC(C)Cn1ccc2ccc(C3CCC3)cc21
InChIInChI=1S/C16H21N/c1-12(2)11-17-9-8-14-6-7-15(10-16(14)17)13-4-3-5-13/h6-10,12-13H,3-5,11H2,1-2H3
InChIKeyDQIQEZLYAJXVFN-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.56
Rot. Bonds3

About 6-cyclobutyl-1-(2-methylpropyl)indole

6-cyclobutyl-1-(2-methylpropyl)indole (PubChem CID 166912133) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 6-cyclobutyl-1-(2-methylpropyl)indole.

Molecular Properties

Compound Name6-cyclobutyl-1-(2-methylpropyl)indole
PubChem CID166912133
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name6-cyclobutyl-1-(2-methylpropyl)indole
SMILESCC(C)Cn1ccc2ccc(C3CCC3)cc21
InChIInChI=1S/C16H21N/c1-12(2)11-17-9-8-14-6-7-15(10-16(14)17)13-4-3-5-13/h6-10,12-13H,3-5,11H2,1-2H3
InChIKeyDQIQEZLYAJXVFN-UHFFFAOYSA-N
XLogP4.56
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-cyclobutyl-1-(2-methylpropyl)indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-1-(2-methylpropyl)indole?
The IUPAC name of 6-cyclobutyl-1-(2-methylpropyl)indole (CID 166912133) is 6-cyclobutyl-1-(2-methylpropyl)indole.
What is the SMILES notation for 6-cyclobutyl-1-(2-methylpropyl)indole?
The canonical SMILES for 6-cyclobutyl-1-(2-methylpropyl)indole is CC(C)Cn1ccc2ccc(C3CCC3)cc21.
What is the InChIKey of 6-cyclobutyl-1-(2-methylpropyl)indole?
The InChIKey is DQIQEZLYAJXVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-12(2)11-17-9-8-14-6-7-15(10-16(14)17)13-4-3-5-13/h6-10,12-13H,3-5,11H2,1-2H3.
What are the key properties of 6-cyclobutyl-1-(2-methylpropyl)indole?
6-cyclobutyl-1-(2-methylpropyl)indole has a molecular weight of 227.35 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-1-(2-methylpropyl)indole is sourced from PubChem (CID 166912133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).