3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(ethylamino)cyclohexane-1-carbonitrile

C15H27N3O — CID 104960172

IUPAC3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(ethylamino)cyclohexane-1-carbonitrile
SMILESCCNC1(C#N)CCCC(N2C[C@@H](C)O[C@@H](C)C2)C1
InChIInChI=1S/C15H27N3O/c1-4-17-15(11-16)7-5-6-14(8-15)18-9-12(2)19-13(3)10-18/h12-14,17H,4-10H2,1-3H3/t12-,13+,14?,15?
InChIKeyVVNTYZVZHXOUEN-DGKWVBSXSA-N
MW265.40 g/mol
LogP1.91
Rot. Bonds3

About 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(ethylamino)cyclohexane-1-carbonitrile

3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(ethylamino)cyclohexane-1-carbonitrile (PubChem CID 104960172) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(ethylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(ethylamino)cyclohexane-1-carbonitrile
PubChem CID104960172
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(ethylamino)cyclohexane-1-carbonitrile
SMILESCCNC1(C#N)CCCC(N2C[C@@H](C)O[C@@H](C)C2)C1
InChIInChI=1S/C15H27N3O/c1-4-17-15(11-16)7-5-6-14(8-15)18-9-12(2)19-13(3)10-18/h12-14,17H,4-10H2,1-3H3/t12-,13+,14?,15?
InChIKeyVVNTYZVZHXOUEN-DGKWVBSXSA-N
XLogP1.91
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 115561389
1-(ethylamino)-3-(4-ethylpiperazin-1-yl)cyclohexane-1-carbonitrile
CID 79625108
1-(ethylamino)-3-(1,4-oxazepan-4-yl)cyclohexane-1-carbonitrile
CID 79625064
3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79628775
1-(ethylamino)-3-(3-methoxypiperidin-1-yl)cyclohexane-1-carbonitrile
CID 102966224
1-(ethylamino)-3-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexane-1-carbonitrile
CID 83221342
1-(ethylamino)-3-(3-methylmorpholin-4-yl)cyclohexane-1-carbonitrile
CID 79625720
1-(cyclopropylamino)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclopentane-1-carbonitrile
CID 104960154
3-(2,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79625508
3-(4-butan-2-ylpiperazin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79627551
1-[3-cyano-3-(ethylamino)cyclohexyl]-1,2,4-triazole-3-carbonitrile
CID 79624945
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79935897

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(ethylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(ethylamino)cyclohexane-1-carbonitrile (CID 104960172) is 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(ethylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(ethylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(ethylamino)cyclohexane-1-carbonitrile is CCNC1(C#N)CCCC(N2C[C@@H](C)O[C@@H](C)C2)C1.
What is the InChIKey of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(ethylamino)cyclohexane-1-carbonitrile?
The InChIKey is VVNTYZVZHXOUEN-DGKWVBSXSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-17-15(11-16)7-5-6-14(8-15)18-9-12(2)19-13(3)10-18/h12-14,17H,4-10H2,1-3H3/t12-,13+,14?,15?.
What are the key properties of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(ethylamino)cyclohexane-1-carbonitrile?
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(ethylamino)cyclohexane-1-carbonitrile has a molecular weight of 265.40 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(ethylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 104960172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).