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

C14H25N3O — CID 79625720

IUPAC1-(ethylamino)-3-(3-methylmorpholin-4-yl)cyclohexane-1-carbonitrile
SMILESCCNC1(C#N)CCCC(N2CCOCC2C)C1
InChIInChI=1S/C14H25N3O/c1-3-16-14(11-15)6-4-5-13(9-14)17-7-8-18-10-12(17)2/h12-13,16H,3-10H2,1-2H3
InChIKeyAVJVYDGYWYQOSU-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.52
Rot. Bonds3

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

1-(ethylamino)-3-(3-methylmorpholin-4-yl)cyclohexane-1-carbonitrile (PubChem CID 79625720) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(ethylamino)-3-(3-methylmorpholin-4-yl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(ethylamino)-3-(3-methylmorpholin-4-yl)cyclohexane-1-carbonitrile
PubChem CID79625720
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-(ethylamino)-3-(3-methylmorpholin-4-yl)cyclohexane-1-carbonitrile
SMILESCCNC1(C#N)CCCC(N2CCOCC2C)C1
InChIInChI=1S/C14H25N3O/c1-3-16-14(11-15)6-4-5-13(9-14)17-7-8-18-10-12(17)2/h12-13,16H,3-10H2,1-2H3
InChIKeyAVJVYDGYWYQOSU-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

3-(2,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79625508
1-(ethylamino)-3-(1,4-oxazepan-4-yl)cyclohexane-1-carbonitrile
CID 79625064
1-(ethylamino)-3-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexane-1-carbonitrile
CID 83221342
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79625136
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(ethylamino)cyclohexane-1-carbonitrile
CID 104960172
1-(ethylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carbonitrile
CID 79625823
3-(2,5-dimethylmorpholin-4-yl)-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79639476
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(ethylamino)cyclohexane-1-carbonitrile
CID 102727945
1-(ethylamino)-3-(4-ethylpiperazin-1-yl)cyclohexane-1-carbonitrile
CID 79625108
[1-(ethylamino)-3-(3-methylmorpholin-4-yl)cyclopentyl]methanol
CID 79655799
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 115561389
3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79628775

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(3-methylmorpholin-4-yl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(ethylamino)-3-(3-methylmorpholin-4-yl)cyclohexane-1-carbonitrile (CID 79625720) is 1-(ethylamino)-3-(3-methylmorpholin-4-yl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(ethylamino)-3-(3-methylmorpholin-4-yl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(ethylamino)-3-(3-methylmorpholin-4-yl)cyclohexane-1-carbonitrile is CCNC1(C#N)CCCC(N2CCOCC2C)C1.
What is the InChIKey of 1-(ethylamino)-3-(3-methylmorpholin-4-yl)cyclohexane-1-carbonitrile?
The InChIKey is AVJVYDGYWYQOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-16-14(11-15)6-4-5-13(9-14)17-7-8-18-10-12(17)2/h12-13,16H,3-10H2,1-2H3.
What are the key properties of 1-(ethylamino)-3-(3-methylmorpholin-4-yl)cyclohexane-1-carbonitrile?
1-(ethylamino)-3-(3-methylmorpholin-4-yl)cyclohexane-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 1-(ethylamino)-3-(3-methylmorpholin-4-yl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 79625720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).