5-(2-ethylimidazol-1-yl)-2,2-dimethylpentanenitrile

C12H19N3 — CID 65255231

IUPAC5-(2-ethylimidazol-1-yl)-2,2-dimethylpentanenitrile
SMILESCCc1nccn1CCCC(C)(C)C#N
InChIInChI=1S/C12H19N3/c1-4-11-14-7-9-15(11)8-5-6-12(2,3)10-13/h7,9H,4-6,8H2,1-3H3
InChIKeyGZABMNIJGXMYSH-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.78
Rot. Bonds5

About 5-(2-ethylimidazol-1-yl)-2,2-dimethylpentanenitrile

5-(2-ethylimidazol-1-yl)-2,2-dimethylpentanenitrile (PubChem CID 65255231) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 5-(2-ethylimidazol-1-yl)-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-(2-ethylimidazol-1-yl)-2,2-dimethylpentanenitrile
PubChem CID65255231
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name5-(2-ethylimidazol-1-yl)-2,2-dimethylpentanenitrile
SMILESCCc1nccn1CCCC(C)(C)C#N
InChIInChI=1S/C12H19N3/c1-4-11-14-7-9-15(11)8-5-6-12(2,3)10-13/h7,9H,4-6,8H2,1-3H3
InChIKeyGZABMNIJGXMYSH-UHFFFAOYSA-N
XLogP2.78
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(ethylaminomethyl)imidazol-1-yl]-2,2-dimethylpentanenitrile
CID 65255371
6-[2-(ethylaminomethyl)imidazol-1-yl]-2,2-dimethylhexanenitrile
CID 106713533
2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
CID 132598751
4-(2-ethylimidazol-1-yl)-2,2-diphenylbutanenitrile
CID 100942188
1-dodecyl-2-ethylimidazole;hydrobromide
CID 175123705
1-dodecyl-2-ethylimidazole;hydrochloride
CID 70439493
2,2-dimethyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butanenitrile
CID 66402687
5-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-2,2-dimethylpentanenitrile
CID 66403383
2-(cyclopropylamino)-5-(2-ethylimidazol-1-yl)-2-methylpentan-1-ol
CID 64809678
2-ethyl-1-(3-ethylsulfanylpropyl)imidazole
CID 115769672
2-ethyl-1-(4-methylsulfanylbutyl)imidazole
CID 141069920
4-(2-ethylimidazol-1-yl)-2,2-dimethylbutanoic acid
CID 65248356

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylimidazol-1-yl)-2,2-dimethylpentanenitrile?
The IUPAC name of 5-(2-ethylimidazol-1-yl)-2,2-dimethylpentanenitrile (CID 65255231) is 5-(2-ethylimidazol-1-yl)-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-(2-ethylimidazol-1-yl)-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-(2-ethylimidazol-1-yl)-2,2-dimethylpentanenitrile is CCc1nccn1CCCC(C)(C)C#N.
What is the InChIKey of 5-(2-ethylimidazol-1-yl)-2,2-dimethylpentanenitrile?
The InChIKey is GZABMNIJGXMYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-4-11-14-7-9-15(11)8-5-6-12(2,3)10-13/h7,9H,4-6,8H2,1-3H3.
What are the key properties of 5-(2-ethylimidazol-1-yl)-2,2-dimethylpentanenitrile?
5-(2-ethylimidazol-1-yl)-2,2-dimethylpentanenitrile has a molecular weight of 205.30 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylimidazol-1-yl)-2,2-dimethylpentanenitrile is sourced from PubChem (CID 65255231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).