1-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)ethanone

C11H22N2O2 — CID 60687539

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)ethanone
SMILESCCCNCC(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C11H22N2O2/c1-4-5-12-6-11(14)13-7-9(2)15-10(3)8-13/h9-10,12H,4-8H2,1-3H3
InChIKeyXMCKYXPUMPKDRN-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.62
Rot. Bonds4

About 1-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)ethanone

1-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)ethanone (PubChem CID 60687539) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)ethanone
PubChem CID60687539
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)ethanone
SMILESCCCNCC(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C11H22N2O2/c1-4-5-12-6-11(14)13-7-9(2)15-10(3)8-13/h9-10,12H,4-8H2,1-3H3
InChIKeyXMCKYXPUMPKDRN-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]amino]propanoic acid
CID 43466609
2-(propylamino)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone
CID 114536706
2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]amino]pentanoic acid
CID 43631730
1-(3-hydroxypyrrolidin-1-yl)-2-(propylamino)ethanone
CID 62943798
2-(cyclopropylmethylamino)-1-(2-ethyl-6-methylmorpholin-4-yl)ethanone;hydrochloride
CID 119751420
2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propylprop-2-en-1-amine
CID 103068847
2-bromo-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 53216148
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanium
CID 153278899
1-[(3S)-3-hydroxypiperidin-1-yl]-2-(propylamino)ethanone
CID 107222864
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-ethoxyethanone
CID 2163030
3-(2,6-dimethylmorpholin-4-yl)-3-oxopropanethioamide
CID 43120415
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(prop-2-enylamino)ethanone
CID 102932694

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)ethanone?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)ethanone (CID 60687539) is 1-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)ethanone.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)ethanone?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)ethanone is CCCNCC(=O)N1CC(C)OC(C)C1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)ethanone?
The InChIKey is XMCKYXPUMPKDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-5-12-6-11(14)13-7-9(2)15-10(3)8-13/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)ethanone?
1-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)ethanone has a molecular weight of 214.31 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)ethanone is sourced from PubChem (CID 60687539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).