3-(2,5-dimethylmorpholin-4-yl)-1-(ethylamino)cyclopentane-1-carbonitrile

C14H25N3O — CID 79639476

IUPAC3-(2,5-dimethylmorpholin-4-yl)-1-(ethylamino)cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(N2CC(C)OCC2C)C1
InChIInChI=1S/C14H25N3O/c1-4-16-14(10-15)6-5-13(7-14)17-8-12(3)18-9-11(17)2/h11-13,16H,4-9H2,1-3H3
InChIKeyDBQPRPSEUDBIHN-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.52
Rot. Bonds3

About 3-(2,5-dimethylmorpholin-4-yl)-1-(ethylamino)cyclopentane-1-carbonitrile

3-(2,5-dimethylmorpholin-4-yl)-1-(ethylamino)cyclopentane-1-carbonitrile (PubChem CID 79639476) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-(2,5-dimethylmorpholin-4-yl)-1-(ethylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-(2,5-dimethylmorpholin-4-yl)-1-(ethylamino)cyclopentane-1-carbonitrile
PubChem CID79639476
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-(2,5-dimethylmorpholin-4-yl)-1-(ethylamino)cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(N2CC(C)OCC2C)C1
InChIInChI=1S/C14H25N3O/c1-4-16-14(10-15)6-5-13(7-14)17-8-12(3)18-9-11(17)2/h11-13,16H,4-9H2,1-3H3
InChIKeyDBQPRPSEUDBIHN-UHFFFAOYSA-N
XLogP1.52
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(ethylamino)-3-(5-ethyl-2-methylmorpholin-4-yl)cyclopentane-1-carbonitrile
CID 79639950
1-(ethylamino)-3-(3-methylmorpholin-4-yl)cyclohexane-1-carbonitrile
CID 79625720
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(ethylamino)cyclohexane-1-carbonitrile
CID 104960172
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
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79935897
1-(ethylamino)-3-(3-phenylpyrrolidin-1-yl)cyclopentane-1-carbonitrile
CID 79639357
1-(ethylamino)-3-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexane-1-carbonitrile
CID 83221342
[1-(cyclopropylamino)-3-(2,5-dimethylmorpholin-4-yl)cyclopentyl]methanol
CID 79656126
[3-(2,5-dimethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656040
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 115561389
ethyl 1-amino-3-(2,5-dimethylmorpholin-4-yl)cyclopentane-1-carboxylate
CID 79654900

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylmorpholin-4-yl)-1-(ethylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 3-(2,5-dimethylmorpholin-4-yl)-1-(ethylamino)cyclopentane-1-carbonitrile (CID 79639476) is 3-(2,5-dimethylmorpholin-4-yl)-1-(ethylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-(2,5-dimethylmorpholin-4-yl)-1-(ethylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-(2,5-dimethylmorpholin-4-yl)-1-(ethylamino)cyclopentane-1-carbonitrile is CCNC1(C#N)CCC(N2CC(C)OCC2C)C1.
What is the InChIKey of 3-(2,5-dimethylmorpholin-4-yl)-1-(ethylamino)cyclopentane-1-carbonitrile?
The InChIKey is DBQPRPSEUDBIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-16-14(10-15)6-5-13(7-14)17-8-12(3)18-9-11(17)2/h11-13,16H,4-9H2,1-3H3.
What are the key properties of 3-(2,5-dimethylmorpholin-4-yl)-1-(ethylamino)cyclopentane-1-carbonitrile?
3-(2,5-dimethylmorpholin-4-yl)-1-(ethylamino)cyclopentane-1-carbonitrile has a molecular weight of 251.37 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylmorpholin-4-yl)-1-(ethylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79639476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).