5-(3,3-dimethylmorpholin-4-yl)-2-ethyl-2-(methylamino)pentanenitrile

C14H27N3O — CID 106803300

IUPAC5-(3,3-dimethylmorpholin-4-yl)-2-ethyl-2-(methylamino)pentanenitrile
SMILESCCC(C#N)(CCCN1CCOCC1(C)C)NC
InChIInChI=1S/C14H27N3O/c1-5-14(11-15,16-4)7-6-8-17-9-10-18-12-13(17,2)3/h16H,5-10,12H2,1-4H3
InChIKeyBLICLYCAAUJJPZ-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.77
Rot. Bonds6

About 5-(3,3-dimethylmorpholin-4-yl)-2-ethyl-2-(methylamino)pentanenitrile

5-(3,3-dimethylmorpholin-4-yl)-2-ethyl-2-(methylamino)pentanenitrile (PubChem CID 106803300) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 5-(3,3-dimethylmorpholin-4-yl)-2-ethyl-2-(methylamino)pentanenitrile.

Molecular Properties

Compound Name5-(3,3-dimethylmorpholin-4-yl)-2-ethyl-2-(methylamino)pentanenitrile
PubChem CID106803300
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name5-(3,3-dimethylmorpholin-4-yl)-2-ethyl-2-(methylamino)pentanenitrile
SMILESCCC(C#N)(CCCN1CCOCC1(C)C)NC
InChIInChI=1S/C14H27N3O/c1-5-14(11-15,16-4)7-6-8-17-9-10-18-12-13(17,2)3/h16H,5-10,12H2,1-4H3
InChIKeyBLICLYCAAUJJPZ-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

6-(3,3-dimethylmorpholin-4-yl)-3,3-dimethylhexan-1-amine
CID 65296338
2-ethyl-2-(methylamino)-5-(4-propylpiperazin-1-yl)pentanenitrile
CID 106802818
2-ethyl-2-(methylamino)-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanenitrile
CID 106803612
3-(3,3-dimethylmorpholin-4-yl)propan-1-ol
CID 54352391
5-(4-tert-butylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile
CID 106803491
5-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2-(methylamino)pentanenitrile
CID 106802864
4-(4-bromobutyl)-3,3-dimethylmorpholine
CID 61430684
5-(2,5-dioxopyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile
CID 106804177
2-ethyl-2-(methylamino)-5-(2-methylpyrrolidin-1-yl)pentanenitrile
CID 106802754
1-(3,3-dimethylmorpholin-4-yl)-N,2-dimethylpropan-2-amine
CID 62846220
3-(3,3-dimethylmorpholin-4-yl)-N-propan-2-ylpropan-1-amine
CID 61430784
3,3-dimethyl-4-(3-piperidin-4-ylpropyl)morpholine
CID 62212366

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylmorpholin-4-yl)-2-ethyl-2-(methylamino)pentanenitrile?
The IUPAC name of 5-(3,3-dimethylmorpholin-4-yl)-2-ethyl-2-(methylamino)pentanenitrile (CID 106803300) is 5-(3,3-dimethylmorpholin-4-yl)-2-ethyl-2-(methylamino)pentanenitrile.
What is the SMILES notation for 5-(3,3-dimethylmorpholin-4-yl)-2-ethyl-2-(methylamino)pentanenitrile?
The canonical SMILES for 5-(3,3-dimethylmorpholin-4-yl)-2-ethyl-2-(methylamino)pentanenitrile is CCC(C#N)(CCCN1CCOCC1(C)C)NC.
What is the InChIKey of 5-(3,3-dimethylmorpholin-4-yl)-2-ethyl-2-(methylamino)pentanenitrile?
The InChIKey is BLICLYCAAUJJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-5-14(11-15,16-4)7-6-8-17-9-10-18-12-13(17,2)3/h16H,5-10,12H2,1-4H3.
What are the key properties of 5-(3,3-dimethylmorpholin-4-yl)-2-ethyl-2-(methylamino)pentanenitrile?
5-(3,3-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-(3,3-dimethylmorpholin-4-yl)-2-ethyl-2-(methylamino)pentanenitrile is sourced from PubChem (CID 106803300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).