1-(ethylamino)-3-(2-propylimidazol-1-yl)cyclohexane-1-carbonitrile

C15H24N4 — CID 79625295

IUPAC1-(ethylamino)-3-(2-propylimidazol-1-yl)cyclohexane-1-carbonitrile
SMILESCCCc1nccn1C1CCCC(C#N)(NCC)C1
InChIInChI=1S/C15H24N4/c1-3-6-14-17-9-10-19(14)13-7-5-8-15(11-13,12-16)18-4-2/h9-10,13,18H,3-8,11H2,1-2H3
InChIKeyQJXUIWSAVIIVND-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.82
Rot. Bonds5

About 1-(ethylamino)-3-(2-propylimidazol-1-yl)cyclohexane-1-carbonitrile

1-(ethylamino)-3-(2-propylimidazol-1-yl)cyclohexane-1-carbonitrile (PubChem CID 79625295) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(ethylamino)-3-(2-propylimidazol-1-yl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(ethylamino)-3-(2-propylimidazol-1-yl)cyclohexane-1-carbonitrile
PubChem CID79625295
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name1-(ethylamino)-3-(2-propylimidazol-1-yl)cyclohexane-1-carbonitrile
SMILESCCCc1nccn1C1CCCC(C#N)(NCC)C1
InChIInChI=1S/C15H24N4/c1-3-6-14-17-9-10-19(14)13-7-5-8-15(11-13,12-16)18-4-2/h9-10,13,18H,3-8,11H2,1-2H3
InChIKeyQJXUIWSAVIIVND-UHFFFAOYSA-N
XLogP2.82
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.82
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-[3-cyano-3-(ethylamino)cyclohexyl]-1,2,4-triazole-3-carbonitrile
CID 79624945
3-(2-ethylimidazol-1-yl)-1-(methylamino)cyclopentane-1-carbonitrile
CID 79639003
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 115561389
1-(ethylamino)-3-(2-propylimidazol-1-yl)cyclopentane-1-carboxylic acid
CID 79648637
3-(4-bromopyrazol-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79626047
[1-(methylamino)-3-(2-propylimidazol-1-yl)cyclopentyl]methanol
CID 79644477
N-ethyl-3-(2-propylimidazol-1-yl)cyclohexan-1-amine
CID 79619406
1-(cyclopropylamino)-3-(2-propylimidazol-1-yl)cyclohexane-1-carboxylic acid
CID 79634409
3-(2-propan-2-ylimidazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 79638589
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(ethylamino)cyclohexane-1-carbonitrile
CID 104960172
1-(ethylamino)-3-(2-ethylimidazol-1-yl)cyclohexane-1-carboxylic acid
CID 79637528

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(2-propylimidazol-1-yl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(ethylamino)-3-(2-propylimidazol-1-yl)cyclohexane-1-carbonitrile (CID 79625295) is 1-(ethylamino)-3-(2-propylimidazol-1-yl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(ethylamino)-3-(2-propylimidazol-1-yl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(ethylamino)-3-(2-propylimidazol-1-yl)cyclohexane-1-carbonitrile is CCCc1nccn1C1CCCC(C#N)(NCC)C1.
What is the InChIKey of 1-(ethylamino)-3-(2-propylimidazol-1-yl)cyclohexane-1-carbonitrile?
The InChIKey is QJXUIWSAVIIVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-3-6-14-17-9-10-19(14)13-7-5-8-15(11-13,12-16)18-4-2/h9-10,13,18H,3-8,11H2,1-2H3.
What are the key properties of 1-(ethylamino)-3-(2-propylimidazol-1-yl)cyclohexane-1-carbonitrile?
1-(ethylamino)-3-(2-propylimidazol-1-yl)cyclohexane-1-carbonitrile has a molecular weight of 260.38 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(2-propylimidazol-1-yl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 79625295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).