4-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanenitrile

C13H22N4 — CID 64727952

IUPAC4-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CC(C)n1cnc(C)c1C
InChIInChI=1S/C13H22N4/c1-6-16-13(5,8-14)7-10(2)17-9-15-11(3)12(17)4/h9-10,16H,6-7H2,1-5H3
InChIKeyHIQPYPBQVDRVHU-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.34
Rot. Bonds5

About 4-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanenitrile

4-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanenitrile (PubChem CID 64727952) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanenitrile.

Molecular Properties

Compound Name4-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanenitrile
PubChem CID64727952
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CC(C)n1cnc(C)c1C
InChIInChI=1S/C13H22N4/c1-6-16-13(5,8-14)7-10(2)17-9-15-11(3)12(17)4/h9-10,16H,6-7H2,1-5H3
InChIKeyHIQPYPBQVDRVHU-UHFFFAOYSA-N
XLogP2.34
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanenitrile?
The IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanenitrile (CID 64727952) is 4-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanenitrile.
What is the SMILES notation for 4-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanenitrile?
The canonical SMILES for 4-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanenitrile is CCNC(C)(C#N)CC(C)n1cnc(C)c1C.
What is the InChIKey of 4-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanenitrile?
The InChIKey is HIQPYPBQVDRVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-6-16-13(5,8-14)7-10(2)17-9-15-11(3)12(17)4/h9-10,16H,6-7H2,1-5H3.
What are the key properties of 4-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanenitrile?
4-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanenitrile has a molecular weight of 234.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)-2-methylpentanenitrile is sourced from PubChem (CID 64727952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).