1-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-one

C12H23NO2 — CID 43219275

IUPAC1-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-one
SMILESCC1CN(CC(=O)C(C)(C)C)CC(C)O1
InChIInChI=1S/C12H23NO2/c1-9-6-13(7-10(2)15-9)8-11(14)12(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyMEMQEZFMZUEQDA-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.71
Rot. Bonds2

About 1-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-one

1-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-one (PubChem CID 43219275) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-one
PubChem CID43219275
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-one
SMILESCC1CN(CC(=O)C(C)(C)C)CC(C)O1
InChIInChI=1S/C12H23NO2/c1-9-6-13(7-10(2)15-9)8-11(14)12(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyMEMQEZFMZUEQDA-UHFFFAOYSA-N
XLogP1.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminoazetidin-1-yl)-3,3-dimethylbutan-2-one
CID 121200108
methyl 2-(2,6-dimethylmorpholin-4-yl)acetate
CID 22198251
1-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]-3,3-dimethylbutan-2-one
CID 130856209
3-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropanoic acid
CID 22683272
3-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropanoyl chloride
CID 82041291
1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxypropan-2-one
CID 107507566
2-(2,6-dimethylmorpholin-4-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 87012335
(2R,6S)-4-(2,2-dimethylpropyl)-2,6-dimethylmorpholine
CID 148863425
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(methylcarbamoyl)acetamide
CID 8520083
1-(4-ethyl-3-methylpiperazin-1-yl)-3,3-dimethylbutan-2-one
CID 63609263
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(ethylcarbamoyl)acetamide
CID 25376066
[(2R,6S)-2,6-dimethylmorpholin-4-yl]methylhydrazine
CID 135371518

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-one?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-one (CID 43219275) is 1-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-one is CC1CN(CC(=O)C(C)(C)C)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-one?
The InChIKey is MEMQEZFMZUEQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9-6-13(7-10(2)15-9)8-11(14)12(3,4)5/h9-10H,6-8H2,1-5H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-one?
1-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-one has a molecular weight of 213.32 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-one is sourced from PubChem (CID 43219275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).