3-(2-ethylimidazol-1-yl)-1-(methylamino)cyclopentane-1-carbonitrile

C12H18N4 — CID 79639003

IUPAC3-(2-ethylimidazol-1-yl)-1-(methylamino)cyclopentane-1-carbonitrile
SMILESCCc1nccn1C1CCC(C#N)(NC)C1
InChIInChI=1S/C12H18N4/c1-3-11-15-6-7-16(11)10-4-5-12(8-10,9-13)14-2/h6-7,10,14H,3-5,8H2,1-2H3
InChIKeyUZSCHBRIQKWUFC-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.65
Rot. Bonds3

About 3-(2-ethylimidazol-1-yl)-1-(methylamino)cyclopentane-1-carbonitrile

3-(2-ethylimidazol-1-yl)-1-(methylamino)cyclopentane-1-carbonitrile (PubChem CID 79639003) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(2-ethylimidazol-1-yl)-1-(methylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-(2-ethylimidazol-1-yl)-1-(methylamino)cyclopentane-1-carbonitrile
PubChem CID79639003
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name3-(2-ethylimidazol-1-yl)-1-(methylamino)cyclopentane-1-carbonitrile
SMILESCCc1nccn1C1CCC(C#N)(NC)C1
InChIInChI=1S/C12H18N4/c1-3-11-15-6-7-16(11)10-4-5-12(8-10,9-13)14-2/h6-7,10,14H,3-5,8H2,1-2H3
InChIKeyUZSCHBRIQKWUFC-UHFFFAOYSA-N
XLogP1.65
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(propylamino)-3-(2-propylimidazol-1-yl)cyclopentane-1-carbonitrile
CID 79638335
1-(ethylamino)-3-(2-propylimidazol-1-yl)cyclohexane-1-carbonitrile
CID 79625295
3-(benzimidazol-1-yl)-1-(methylamino)cyclopentane-1-carbonitrile
CID 79638590
3-(2-propan-2-ylimidazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 79638589
2-ethyl-1-(4-methylcyclohexyl)imidazole
CID 64776318
1-amino-3-(2-ethylimidazol-1-yl)cyclopentane-1-carboxamide
CID 79648406
2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)imidazole
CID 79919368
[1-(methylamino)-3-(2-propylimidazol-1-yl)cyclopentyl]methanol
CID 79644477
ethyl 1-amino-3-(2-ethylimidazol-1-yl)cyclopentane-1-carboxylate
CID 79649099
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639960
1-(ethylamino)-3-(2-ethylimidazol-1-yl)cyclohexane-1-carboxylic acid
CID 79637528
1-(methylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carbonitrile
CID 79639682

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylimidazol-1-yl)-1-(methylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 3-(2-ethylimidazol-1-yl)-1-(methylamino)cyclopentane-1-carbonitrile (CID 79639003) is 3-(2-ethylimidazol-1-yl)-1-(methylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-(2-ethylimidazol-1-yl)-1-(methylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-(2-ethylimidazol-1-yl)-1-(methylamino)cyclopentane-1-carbonitrile is CCc1nccn1C1CCC(C#N)(NC)C1.
What is the InChIKey of 3-(2-ethylimidazol-1-yl)-1-(methylamino)cyclopentane-1-carbonitrile?
The InChIKey is UZSCHBRIQKWUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-3-11-15-6-7-16(11)10-4-5-12(8-10,9-13)14-2/h6-7,10,14H,3-5,8H2,1-2H3.
What are the key properties of 3-(2-ethylimidazol-1-yl)-1-(methylamino)cyclopentane-1-carbonitrile?
3-(2-ethylimidazol-1-yl)-1-(methylamino)cyclopentane-1-carbonitrile has a molecular weight of 218.30 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylimidazol-1-yl)-1-(methylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79639003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).