1-(2-ethylbutyl)-2-methylindole

C15H21N — CID 82925203

IUPAC1-(2-ethylbutyl)-2-methylindole
SMILESCCC(CC)Cn1c(C)cc2ccccc21
InChIInChI=1S/C15H21N/c1-4-13(5-2)11-16-12(3)10-14-8-6-7-9-15(14)16/h6-10,13H,4-5,11H2,1-3H3
InChIKeyOVOKSYCJLXAWOM-UHFFFAOYSA-N
MW215.34 g/mol
LogP4.39
Rot. Bonds4

About 1-(2-ethylbutyl)-2-methylindole

1-(2-ethylbutyl)-2-methylindole (PubChem CID 82925203) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-(2-ethylbutyl)-2-methylindole.

Molecular Properties

Compound Name1-(2-ethylbutyl)-2-methylindole
PubChem CID82925203
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name1-(2-ethylbutyl)-2-methylindole
SMILESCCC(CC)Cn1c(C)cc2ccccc21
InChIInChI=1S/C15H21N/c1-4-13(5-2)11-16-12(3)10-14-8-6-7-9-15(14)16/h6-10,13H,4-5,11H2,1-3H3
InChIKeyOVOKSYCJLXAWOM-UHFFFAOYSA-N
XLogP4.39
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutyl)-2-methylindole?
The IUPAC name of 1-(2-ethylbutyl)-2-methylindole (CID 82925203) is 1-(2-ethylbutyl)-2-methylindole.
What is the SMILES notation for 1-(2-ethylbutyl)-2-methylindole?
The canonical SMILES for 1-(2-ethylbutyl)-2-methylindole is CCC(CC)Cn1c(C)cc2ccccc21.
What is the InChIKey of 1-(2-ethylbutyl)-2-methylindole?
The InChIKey is OVOKSYCJLXAWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-4-13(5-2)11-16-12(3)10-14-8-6-7-9-15(14)16/h6-10,13H,4-5,11H2,1-3H3.
What are the key properties of 1-(2-ethylbutyl)-2-methylindole?
1-(2-ethylbutyl)-2-methylindole has a molecular weight of 215.34 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutyl)-2-methylindole is sourced from PubChem (CID 82925203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).