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

C15H29N3O — CID 106802865

IUPAC5-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2-(ethylamino)pentanenitrile
SMILESCCNC(C#N)(CC)CCCN1CC(C)OC(C)C1
InChIInChI=1S/C15H29N3O/c1-5-15(12-16,17-6-2)8-7-9-18-10-13(3)19-14(4)11-18/h13-14,17H,5-11H2,1-4H3
InChIKeyPVZDKFQHLHAHJZ-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.16
Rot. Bonds7

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

5-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2-(ethylamino)pentanenitrile (PubChem CID 106802865) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 5-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2-(ethylamino)pentanenitrile.

Molecular Properties

Compound Name5-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2-(ethylamino)pentanenitrile
PubChem CID106802865
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name5-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2-(ethylamino)pentanenitrile
SMILESCCNC(C#N)(CC)CCCN1CC(C)OC(C)C1
InChIInChI=1S/C15H29N3O/c1-5-15(12-16,17-6-2)8-7-9-18-10-13(3)19-14(4)11-18/h13-14,17H,5-11H2,1-4H3
InChIKeyPVZDKFQHLHAHJZ-UHFFFAOYSA-N
XLogP2.16
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Morpholin-4-yl)piperidine-4-carbonitrile
CID 28279240
2-[[(4-Ethylmorpholin-2-yl)methylamino]methyl]pentanedinitrile
CID 53600795
2-(Tert-butylamino)-5-morpholin-4-ylpentanenitrile
CID 20825478
2-Morpholin-2-ylhexanenitrile
CID 70524108
N,2,5-trimethyl-5-morpholin-4-ylhexan-2-amine
CID 155175495
(2R)-2-(2-methoxyethylamino)-2-methylhexanenitrile
CID 164015681
4-[(3-Methoxyazetidin-1-yl)methyl]-2,2-dimethylpiperidine
CID 166543278
3-[2-(2-Piperidin-1-ylethoxy)propylamino]propanenitrile
CID 172611824
2,3,3-Triethylmorpholine
CID 173391802
2-Morpholin-3-ylpentanenitrile
CID 174686477
2,2-Dimethyl-4-morpholin-2-ylbutanenitrile
CID 175333412
2-(2,2-dimethylpiperidin-4-yl)oxy-N,N-dimethylethanamine
CID 177322769

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2-(ethylamino)pentanenitrile?
The IUPAC name of 5-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2-(ethylamino)pentanenitrile (CID 106802865) is 5-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2-(ethylamino)pentanenitrile.
What is the SMILES notation for 5-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2-(ethylamino)pentanenitrile?
The canonical SMILES for 5-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2-(ethylamino)pentanenitrile is CCNC(C#N)(CC)CCCN1CC(C)OC(C)C1.
What is the InChIKey of 5-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2-(ethylamino)pentanenitrile?
The InChIKey is PVZDKFQHLHAHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-5-15(12-16,17-6-2)8-7-9-18-10-13(3)19-14(4)11-18/h13-14,17H,5-11H2,1-4H3.
What are the key properties of 5-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2-(ethylamino)pentanenitrile?
5-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2-(ethylamino)pentanenitrile has a molecular weight of 267.42 g/mol, XLogP of 2.16, 7 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-(ethylamino)pentanenitrile is sourced from PubChem (CID 106802865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).