1-(ethylamino)-3-(4-ethylpiperazin-1-yl)cyclohexane-1-carbonitrile

C15H28N4 — CID 79625108

IUPAC1-(ethylamino)-3-(4-ethylpiperazin-1-yl)cyclohexane-1-carbonitrile
SMILESCCNC1(C#N)CCCC(N2CCN(CC)CC2)C1
InChIInChI=1S/C15H28N4/c1-3-17-15(13-16)7-5-6-14(12-15)19-10-8-18(4-2)9-11-19/h14,17H,3-12H2,1-2H3
InChIKeyCXSUEHVDUTXYKQ-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.44
Rot. Bonds4

About 1-(ethylamino)-3-(4-ethylpiperazin-1-yl)cyclohexane-1-carbonitrile

1-(ethylamino)-3-(4-ethylpiperazin-1-yl)cyclohexane-1-carbonitrile (PubChem CID 79625108) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-(ethylamino)-3-(4-ethylpiperazin-1-yl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(ethylamino)-3-(4-ethylpiperazin-1-yl)cyclohexane-1-carbonitrile
PubChem CID79625108
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name1-(ethylamino)-3-(4-ethylpiperazin-1-yl)cyclohexane-1-carbonitrile
SMILESCCNC1(C#N)CCCC(N2CCN(CC)CC2)C1
InChIInChI=1S/C15H28N4/c1-3-17-15(13-16)7-5-6-14(12-15)19-10-8-18(4-2)9-11-19/h14,17H,3-12H2,1-2H3
InChIKeyCXSUEHVDUTXYKQ-UHFFFAOYSA-N
XLogP1.44
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethylpiperazin-1-yl)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79626005
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 115561389
3-(4-butan-2-ylpiperazin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79627551
3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79628775
1-(ethylamino)-3-(1,4-oxazepan-4-yl)cyclohexane-1-carbonitrile
CID 79625064
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(ethylamino)cyclohexane-1-carbonitrile
CID 104960172
3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79627197
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79935897
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79639637
1-(ethylamino)-3-(3-methoxypiperidin-1-yl)cyclohexane-1-carbonitrile
CID 102966224
3-(4,4-dimethylazepan-1-yl)-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79639514
3-(2,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79625508

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(4-ethylpiperazin-1-yl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(ethylamino)-3-(4-ethylpiperazin-1-yl)cyclohexane-1-carbonitrile (CID 79625108) is 1-(ethylamino)-3-(4-ethylpiperazin-1-yl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(ethylamino)-3-(4-ethylpiperazin-1-yl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(ethylamino)-3-(4-ethylpiperazin-1-yl)cyclohexane-1-carbonitrile is CCNC1(C#N)CCCC(N2CCN(CC)CC2)C1.
What is the InChIKey of 1-(ethylamino)-3-(4-ethylpiperazin-1-yl)cyclohexane-1-carbonitrile?
The InChIKey is CXSUEHVDUTXYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-3-17-15(13-16)7-5-6-14(12-15)19-10-8-18(4-2)9-11-19/h14,17H,3-12H2,1-2H3.
What are the key properties of 1-(ethylamino)-3-(4-ethylpiperazin-1-yl)cyclohexane-1-carbonitrile?
1-(ethylamino)-3-(4-ethylpiperazin-1-yl)cyclohexane-1-carbonitrile has a molecular weight of 264.42 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(4-ethylpiperazin-1-yl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 79625108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).