4-ethyl-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]cyclohexane-1-carbonitrile

C16H28N2O2 — CID 114776918

IUPAC4-ethyl-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(N2CC(CO)OC(C)(C)C2)C1
InChIInChI=1S/C16H28N2O2/c1-4-12-5-6-13(8-17)15(7-12)18-9-14(10-19)20-16(2,3)11-18/h12-15,19H,4-7,9-11H2,1-3H3
InChIKeyLTIYPGQLVATRLO-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.18
Rot. Bonds3

About 4-ethyl-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]cyclohexane-1-carbonitrile

4-ethyl-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]cyclohexane-1-carbonitrile (PubChem CID 114776918) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 4-ethyl-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-ethyl-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]cyclohexane-1-carbonitrile
PubChem CID114776918
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name4-ethyl-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(N2CC(CO)OC(C)(C)C2)C1
InChIInChI=1S/C16H28N2O2/c1-4-12-5-6-13(8-17)15(7-12)18-9-14(10-19)20-16(2,3)11-18/h12-15,19H,4-7,9-11H2,1-3H3
InChIKeyLTIYPGQLVATRLO-UHFFFAOYSA-N
XLogP2.18
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-ethylcyclohexyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114779892
[4-[2-(aminomethyl)-5-propylcyclohexyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776480
4-ethyl-2-(4-hydroxy-4-methylazepan-1-yl)cyclohexane-1-carbonitrile
CID 107404565
4-ethyl-2-(4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 43291498
2-(8-azaspiro[4.5]decan-8-yl)-4-ethylcyclohexane-1-carbonitrile
CID 63160347
[6,6-dimethyl-4-(piperidin-4-ylmethyl)morpholin-2-yl]methanol
CID 114782610
4-ethyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclohexane-1-carbonitrile
CID 61407617
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-ethylcyclohexane-1-carbonitrile
CID 63150575
(6,6-dimethyl-4-piperidin-4-ylmorpholin-2-yl)methanol
CID 114782622
[4-[(5,5-dimethyloxolan-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114780051
4-ethyl-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]cyclohexane-1-carbonitrile
CID 63091654
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanol
CID 114779184

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]cyclohexane-1-carbonitrile?
The IUPAC name of 4-ethyl-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]cyclohexane-1-carbonitrile (CID 114776918) is 4-ethyl-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-ethyl-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-ethyl-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]cyclohexane-1-carbonitrile is CCC1CCC(C#N)C(N2CC(CO)OC(C)(C)C2)C1.
What is the InChIKey of 4-ethyl-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]cyclohexane-1-carbonitrile?
The InChIKey is LTIYPGQLVATRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-12-5-6-13(8-17)15(7-12)18-9-14(10-19)20-16(2,3)11-18/h12-15,19H,4-7,9-11H2,1-3H3.
What are the key properties of 4-ethyl-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]cyclohexane-1-carbonitrile?
4-ethyl-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]cyclohexane-1-carbonitrile has a molecular weight of 280.41 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 114776918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).