4-[4-(2-aminoethyl)imidazol-1-yl]-2,2-dimethylbutanenitrile

C11H18N4 — CID 79983161

IUPAC4-[4-(2-aminoethyl)imidazol-1-yl]-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CCn1cnc(CCN)c1
InChIInChI=1S/C11H18N4/c1-11(2,8-13)4-6-15-7-10(3-5-12)14-9-15/h7,9H,3-6,12H2,1-2H3
InChIKeyDURHDRITKHYZKL-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.32
Rot. Bonds5

About 4-[4-(2-aminoethyl)imidazol-1-yl]-2,2-dimethylbutanenitrile

4-[4-(2-aminoethyl)imidazol-1-yl]-2,2-dimethylbutanenitrile (PubChem CID 79983161) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-[4-(2-aminoethyl)imidazol-1-yl]-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-[4-(2-aminoethyl)imidazol-1-yl]-2,2-dimethylbutanenitrile
PubChem CID79983161
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name4-[4-(2-aminoethyl)imidazol-1-yl]-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CCn1cnc(CCN)c1
InChIInChI=1S/C11H18N4/c1-11(2,8-13)4-6-15-7-10(3-5-12)14-9-15/h7,9H,3-6,12H2,1-2H3
InChIKeyDURHDRITKHYZKL-UHFFFAOYSA-N
XLogP1.32
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminoethyl)imidazol-1-yl]-2,2-dimethylbutanenitrile?
The IUPAC name of 4-[4-(2-aminoethyl)imidazol-1-yl]-2,2-dimethylbutanenitrile (CID 79983161) is 4-[4-(2-aminoethyl)imidazol-1-yl]-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-[4-(2-aminoethyl)imidazol-1-yl]-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-[4-(2-aminoethyl)imidazol-1-yl]-2,2-dimethylbutanenitrile is CC(C)(C#N)CCn1cnc(CCN)c1.
What is the InChIKey of 4-[4-(2-aminoethyl)imidazol-1-yl]-2,2-dimethylbutanenitrile?
The InChIKey is DURHDRITKHYZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-11(2,8-13)4-6-15-7-10(3-5-12)14-9-15/h7,9H,3-6,12H2,1-2H3.
What are the key properties of 4-[4-(2-aminoethyl)imidazol-1-yl]-2,2-dimethylbutanenitrile?
4-[4-(2-aminoethyl)imidazol-1-yl]-2,2-dimethylbutanenitrile has a molecular weight of 206.29 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminoethyl)imidazol-1-yl]-2,2-dimethylbutanenitrile is sourced from PubChem (CID 79983161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).