2-(1-ethylimidazol-2-yl)-2-methylbutanenitrile

C10H15N3 — CID 130544225

IUPAC2-(1-ethylimidazol-2-yl)-2-methylbutanenitrile
SMILESCCn1ccnc1C(C)(C#N)CC
InChIInChI=1S/C10H15N3/c1-4-10(3,8-11)9-12-6-7-13(9)5-2/h6-7H,4-5H2,1-3H3
InChIKeyOZNYHXSLJIHLMD-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.09
Rot. Bonds3

About 2-(1-ethylimidazol-2-yl)-2-methylbutanenitrile

2-(1-ethylimidazol-2-yl)-2-methylbutanenitrile (PubChem CID 130544225) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-(1-ethylimidazol-2-yl)-2-methylbutanenitrile.

Molecular Properties

Compound Name2-(1-ethylimidazol-2-yl)-2-methylbutanenitrile
PubChem CID130544225
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name2-(1-ethylimidazol-2-yl)-2-methylbutanenitrile
SMILESCCn1ccnc1C(C)(C#N)CC
InChIInChI=1S/C10H15N3/c1-4-10(3,8-11)9-12-6-7-13(9)5-2/h6-7H,4-5H2,1-3H3
InChIKeyOZNYHXSLJIHLMD-UHFFFAOYSA-N
XLogP2.09
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-tert-butylimidazol-1-yl)acetonitrile
CID 82561565
2-(1-ethylimidazol-2-yl)-1-(methylamino)propan-2-ol
CID 66038409
N-tert-butyl-3-(1-ethylimidazol-2-yl)-3-methylbutan-1-amine
CID 81034890
3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2,2-dimethylpropanenitrile
CID 154733887
4-[1-(1-ethylimidazol-2-yl)-1-hydroxyethyl]phenol
CID 83075627
1-(1-ethylimidazol-2-yl)-1-(2-methylphenyl)ethanol
CID 63975624
5-(2-ethylimidazol-1-yl)-2,2-dimethylpentanenitrile
CID 65255231
2-(2-fluorobutan-2-yl)-1-(2-methylpropyl)imidazole
CID 167461569
1-(1-ethylimidazol-2-yl)-2,2-dimethylbutan-1-ol
CID 115800026
alumane;1-ethyl-2-methylimidazole;dihydrochloride
CID 173131459
1-(1-ethylimidazol-2-yl)-2-hydroxy-2-methylbutan-1-one
CID 103446629
3-(1-propylimidazol-2-yl)pentan-3-ol
CID 63974999

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylimidazol-2-yl)-2-methylbutanenitrile?
The IUPAC name of 2-(1-ethylimidazol-2-yl)-2-methylbutanenitrile (CID 130544225) is 2-(1-ethylimidazol-2-yl)-2-methylbutanenitrile.
What is the SMILES notation for 2-(1-ethylimidazol-2-yl)-2-methylbutanenitrile?
The canonical SMILES for 2-(1-ethylimidazol-2-yl)-2-methylbutanenitrile is CCn1ccnc1C(C)(C#N)CC.
What is the InChIKey of 2-(1-ethylimidazol-2-yl)-2-methylbutanenitrile?
The InChIKey is OZNYHXSLJIHLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-4-10(3,8-11)9-12-6-7-13(9)5-2/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-(1-ethylimidazol-2-yl)-2-methylbutanenitrile?
2-(1-ethylimidazol-2-yl)-2-methylbutanenitrile has a molecular weight of 177.25 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylimidazol-2-yl)-2-methylbutanenitrile is sourced from PubChem (CID 130544225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).