1-(2-methylbutyl)indole-4-carbonitrile

C14H16N2 — CID 107919093

IUPAC1-(2-methylbutyl)indole-4-carbonitrile
SMILESCCC(C)Cn1ccc2c(C#N)cccc21
InChIInChI=1S/C14H16N2/c1-3-11(2)10-16-8-7-13-12(9-15)5-4-6-14(13)16/h4-8,11H,3,10H2,1-2H3
InChIKeyOJTVOKIKYORRHO-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.56
Rot. Bonds3

About 1-(2-methylbutyl)indole-4-carbonitrile

1-(2-methylbutyl)indole-4-carbonitrile (PubChem CID 107919093) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-(2-methylbutyl)indole-4-carbonitrile.

Molecular Properties

Compound Name1-(2-methylbutyl)indole-4-carbonitrile
PubChem CID107919093
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name1-(2-methylbutyl)indole-4-carbonitrile
SMILESCCC(C)Cn1ccc2c(C#N)cccc21
InChIInChI=1S/C14H16N2/c1-3-11(2)10-16-8-7-13-12(9-15)5-4-6-14(13)16/h4-8,11H,3,10H2,1-2H3
InChIKeyOJTVOKIKYORRHO-UHFFFAOYSA-N
XLogP3.56
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methyl-2-oxopentyl)indole-4-carbonitrile
CID 107918780
1-(3-hydroxybutyl)indole-4-carbonitrile
CID 107918979
1-(cyanomethyl)indole-4-carbonitrile
CID 107919207
4-ethoxy-1-(2-methylbutyl)indole
CID 83173509
2-(4-cyanoindol-1-yl)-N-pentan-3-ylacetamide
CID 107919141
1-but-2-ynylindole-4-carbonitrile
CID 107919088
2-(4-cyanoindol-1-yl)acetic acid
CID 28947083
1-(3-methylbut-3-enyl)indole-4-carbonitrile
CID 107919182
1-(2-methylbutyl)indole-4-carboxylic acid
CID 62105505
1-(2-aminoethyl)indole-4-carbonitrile
CID 103846349
2-(4-cyanoindol-1-yl)-N-pentan-2-ylacetamide
CID 107919108
1-[3-(2-methylpropylamino)propyl]indole-4-carbonitrile
CID 107918865

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutyl)indole-4-carbonitrile?
The IUPAC name of 1-(2-methylbutyl)indole-4-carbonitrile (CID 107919093) is 1-(2-methylbutyl)indole-4-carbonitrile.
What is the SMILES notation for 1-(2-methylbutyl)indole-4-carbonitrile?
The canonical SMILES for 1-(2-methylbutyl)indole-4-carbonitrile is CCC(C)Cn1ccc2c(C#N)cccc21.
What is the InChIKey of 1-(2-methylbutyl)indole-4-carbonitrile?
The InChIKey is OJTVOKIKYORRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-3-11(2)10-16-8-7-13-12(9-15)5-4-6-14(13)16/h4-8,11H,3,10H2,1-2H3.
What are the key properties of 1-(2-methylbutyl)indole-4-carbonitrile?
1-(2-methylbutyl)indole-4-carbonitrile has a molecular weight of 212.30 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutyl)indole-4-carbonitrile is sourced from PubChem (CID 107919093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).