1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(methylamino)propan-1-one

C11H22N2O2 — CID 94878561

IUPAC1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(methylamino)propan-1-one
SMILESCNC(C)(C)C(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C11H22N2O2/c1-8-6-13(7-9(2)15-8)10(14)11(3,4)12-5/h8-9,12H,6-7H2,1-5H3/t8-,9+
InChIKeyHOXZRRWHZHMZQB-DTORHVGOSA-N
MW214.31 g/mol
LogP0.62
Rot. Bonds2

About 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(methylamino)propan-1-one

1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(methylamino)propan-1-one (PubChem CID 94878561) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(methylamino)propan-1-one
PubChem CID94878561
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(methylamino)propan-1-one
SMILESCNC(C)(C)C(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C11H22N2O2/c1-8-6-13(7-9(2)15-8)10(14)11(3,4)12-5/h8-9,12H,6-7H2,1-5H3/t8-,9+
InChIKeyHOXZRRWHZHMZQB-DTORHVGOSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

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Related Compounds

4-methyl-1-[2-methyl-2-(methylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 63719521
2-methyl-2-(methylamino)-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one
CID 114536828
(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxy-3-methoxy-2-methylpropan-1-one
CID 98775795
(2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid
CID 137442866
2,6-dimethylmorpholine-4-carboxylic acid
CID 22047773
1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 3361054
2,6-dimethylmorpholine-4-carbonyl chloride
CID 19080228
4-[2-methyl-2-(methylamino)propanoyl]morpholine-2-carboxylic acid
CID 62846931
2-bromo-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 53216148
1-(2,6-dimethylmorpholin-4-yl)propane-1,2-dione
CID 131176238
3-(2,6-dimethylmorpholin-4-yl)-3-oxopropanethioamide
CID 43120415
3-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-1-one
CID 64684519

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(methylamino)propan-1-one?
The IUPAC name of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(methylamino)propan-1-one (CID 94878561) is 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(methylamino)propan-1-one.
What is the SMILES notation for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(methylamino)propan-1-one?
The canonical SMILES for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(methylamino)propan-1-one is CNC(C)(C)C(=O)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(methylamino)propan-1-one?
The InChIKey is HOXZRRWHZHMZQB-DTORHVGOSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8-6-13(7-9(2)15-8)10(14)11(3,4)12-5/h8-9,12H,6-7H2,1-5H3/t8-,9+.
What are the key properties of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(methylamino)propan-1-one?
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(methylamino)propan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(methylamino)propan-1-one is sourced from PubChem (CID 94878561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).