2-(diethylamino)-2-(2,3-dimethylimidazol-4-yl)acetonitrile

C11H18N4 — CID 84739885

IUPAC2-(diethylamino)-2-(2,3-dimethylimidazol-4-yl)acetonitrile
SMILESCCN(CC)C(C#N)c1cnc(C)n1C
InChIInChI=1S/C11H18N4/c1-5-15(6-2)10(7-12)11-8-13-9(3)14(11)4/h8,10H,5-6H2,1-4H3
InChIKeyYFGOYMOOVLDBIC-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.63
Rot. Bonds4

About 2-(diethylamino)-2-(2,3-dimethylimidazol-4-yl)acetonitrile

2-(diethylamino)-2-(2,3-dimethylimidazol-4-yl)acetonitrile (PubChem CID 84739885) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(diethylamino)-2-(2,3-dimethylimidazol-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(diethylamino)-2-(2,3-dimethylimidazol-4-yl)acetonitrile
PubChem CID84739885
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name2-(diethylamino)-2-(2,3-dimethylimidazol-4-yl)acetonitrile
SMILESCCN(CC)C(C#N)c1cnc(C)n1C
InChIInChI=1S/C11H18N4/c1-5-15(6-2)10(7-12)11-8-13-9(3)14(11)4/h8,10H,5-6H2,1-4H3
InChIKeyYFGOYMOOVLDBIC-UHFFFAOYSA-N
XLogP1.63
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-(2,3-dimethylimidazol-4-yl)acetonitrile?
The IUPAC name of 2-(diethylamino)-2-(2,3-dimethylimidazol-4-yl)acetonitrile (CID 84739885) is 2-(diethylamino)-2-(2,3-dimethylimidazol-4-yl)acetonitrile.
What is the SMILES notation for 2-(diethylamino)-2-(2,3-dimethylimidazol-4-yl)acetonitrile?
The canonical SMILES for 2-(diethylamino)-2-(2,3-dimethylimidazol-4-yl)acetonitrile is CCN(CC)C(C#N)c1cnc(C)n1C.
What is the InChIKey of 2-(diethylamino)-2-(2,3-dimethylimidazol-4-yl)acetonitrile?
The InChIKey is YFGOYMOOVLDBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-5-15(6-2)10(7-12)11-8-13-9(3)14(11)4/h8,10H,5-6H2,1-4H3.
What are the key properties of 2-(diethylamino)-2-(2,3-dimethylimidazol-4-yl)acetonitrile?
2-(diethylamino)-2-(2,3-dimethylimidazol-4-yl)acetonitrile has a molecular weight of 206.29 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-(2,3-dimethylimidazol-4-yl)acetonitrile is sourced from PubChem (CID 84739885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).