4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanenitrile

C12H20N4 — CID 64727550

IUPAC4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanenitrile
SMILESCCc1nccn1C(C)CC(C)(C#N)NC
InChIInChI=1S/C12H20N4/c1-5-11-15-6-7-16(11)10(2)8-12(3,9-13)14-4/h6-7,10,14H,5,8H2,1-4H3
InChIKeyVQGJRSGSFTVEAN-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.90
Rot. Bonds5

About 4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanenitrile

4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanenitrile (PubChem CID 64727550) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanenitrile.

Molecular Properties

Compound Name4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanenitrile
PubChem CID64727550
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanenitrile
SMILESCCc1nccn1C(C)CC(C)(C#N)NC
InChIInChI=1S/C12H20N4/c1-5-11-15-6-7-16(11)10(2)8-12(3,9-13)14-4/h6-7,10,14H,5,8H2,1-4H3
InChIKeyVQGJRSGSFTVEAN-UHFFFAOYSA-N
XLogP1.90
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanenitrile?
The IUPAC name of 4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanenitrile (CID 64727550) is 4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanenitrile.
What is the SMILES notation for 4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanenitrile?
The canonical SMILES for 4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanenitrile is CCc1nccn1C(C)CC(C)(C#N)NC.
What is the InChIKey of 4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanenitrile?
The InChIKey is VQGJRSGSFTVEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-5-11-15-6-7-16(11)10(2)8-12(3,9-13)14-4/h6-7,10,14H,5,8H2,1-4H3.
What are the key properties of 4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanenitrile?
4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanenitrile has a molecular weight of 220.32 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanenitrile is sourced from PubChem (CID 64727550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).