5-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2-(methylamino)pentanenitrile

C14H27N3O — CID 106802864

IUPAC5-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2-(methylamino)pentanenitrile
SMILESCCC(C#N)(CCCN1CC(C)OC(C)C1)NC
InChIInChI=1S/C14H27N3O/c1-5-14(11-15,16-4)7-6-8-17-9-12(2)18-13(3)10-17/h12-13,16H,5-10H2,1-4H3
InChIKeySSSDQNMGYRXSMU-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.77
Rot. Bonds6

About 5-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2-(methylamino)pentanenitrile

5-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2-(methylamino)pentanenitrile (PubChem CID 106802864) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 5-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2-(methylamino)pentanenitrile.

Molecular Properties

Compound Name5-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2-(methylamino)pentanenitrile
PubChem CID106802864
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name5-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2-(methylamino)pentanenitrile
SMILESCCC(C#N)(CCCN1CC(C)OC(C)C1)NC
InChIInChI=1S/C14H27N3O/c1-5-14(11-15,16-4)7-6-8-17-9-12(2)18-13(3)10-17/h12-13,16H,5-10H2,1-4H3
InChIKeySSSDQNMGYRXSMU-UHFFFAOYSA-N
XLogP1.77
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2-(ethylamino)pentanenitrile
CID 106802865
2-ethyl-2-(methylamino)-5-(4-propylpiperazin-1-yl)pentanenitrile
CID 106802818
5-(4-tert-butylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile
CID 106803491
2-ethyl-5-(3-methoxy-4-methylpiperidin-1-yl)-2-(methylamino)pentanenitrile
CID 106804039
2-ethyl-2-(methylamino)-5-(4-methylsulfonylpiperazin-1-yl)pentanenitrile
CID 106803568
5-(2,6-dimethyloxan-4-yl)oxy-2-ethyl-2-(methylamino)pentanenitrile
CID 106804922
2-ethyl-2-(methylamino)-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanenitrile
CID 106803612
2-ethyl-2-(methylamino)-5-(2-methylpyrrolidin-1-yl)pentanenitrile
CID 106802754
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-ethyl-2-(methylamino)pentanoic acid
CID 106806515
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(methylamino)pentan-1-ol
CID 104961381
2-ethyl-5-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)pentanenitrile
CID 106803549
4-(2,6-dimethylmorpholin-4-yl)butanenitrile
CID 24695044

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2-(methylamino)pentanenitrile?
The IUPAC name of 5-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2-(methylamino)pentanenitrile (CID 106802864) is 5-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2-(methylamino)pentanenitrile.
What is the SMILES notation for 5-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2-(methylamino)pentanenitrile?
The canonical SMILES for 5-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2-(methylamino)pentanenitrile is CCC(C#N)(CCCN1CC(C)OC(C)C1)NC.
What is the InChIKey of 5-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2-(methylamino)pentanenitrile?
The InChIKey is SSSDQNMGYRXSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-5-14(11-15,16-4)7-6-8-17-9-12(2)18-13(3)10-17/h12-13,16H,5-10H2,1-4H3.
What are the key properties of 5-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2-(methylamino)pentanenitrile?
5-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2-(methylamino)pentanenitrile has a molecular weight of 253.39 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2-(methylamino)pentanenitrile is sourced from PubChem (CID 106802864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).