3-methoxy-3-methyl-1-(5-methylmorpholin-3-yl)butan-2-one

C11H21NO3 — CID 165475193

IUPAC3-methoxy-3-methyl-1-(5-methylmorpholin-3-yl)butan-2-one
SMILESCOC(C)(C)C(=O)CC1COCC(C)N1
InChIInChI=1S/C11H21NO3/c1-8-6-15-7-9(12-8)5-10(13)11(2,3)14-4/h8-9,12H,5-7H2,1-4H3
InChIKeyQWZDNIUQWYLOAI-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.75
Rot. Bonds4

About 3-methoxy-3-methyl-1-(5-methylmorpholin-3-yl)butan-2-one

3-methoxy-3-methyl-1-(5-methylmorpholin-3-yl)butan-2-one (PubChem CID 165475193) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-(5-methylmorpholin-3-yl)butan-2-one.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-(5-methylmorpholin-3-yl)butan-2-one
PubChem CID165475193
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-methoxy-3-methyl-1-(5-methylmorpholin-3-yl)butan-2-one
SMILESCOC(C)(C)C(=O)CC1COCC(C)N1
InChIInChI=1S/C11H21NO3/c1-8-6-15-7-9(12-8)5-10(13)11(2,3)14-4/h8-9,12H,5-7H2,1-4H3
InChIKeyQWZDNIUQWYLOAI-UHFFFAOYSA-N
XLogP0.75
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(5-methylmorpholin-3-yl)pentan-2-one
CID 165485552
N,N-dimethyl-1-[(3S)-5-methylmorpholin-3-yl]methanamine
CID 171530788
1-(4-chlorophenyl)-2-(5-methylmorpholin-3-yl)ethanone
CID 116685146
1-(3,5-difluorophenyl)-2-(5-methylmorpholin-3-yl)ethanone
CID 116685377
1-(3-fluorophenyl)-2-(5-methylmorpholin-3-yl)ethanone
CID 116685057
1-(2,5-difluoro-4-methylphenyl)-2-(5-methylmorpholin-3-yl)ethanone
CID 116685375
3,5-dimethylmorpholine
CID 8862
1-[2-(difluoromethoxy)phenyl]-2-(5-methylmorpholin-3-yl)ethanone
CID 116685700
1-amino-3-methoxy-3-methylbutan-2-one
CID 103022654
(3S,5R)-3,5-dimethylmorpholine;hydrochloride
CID 20818712
1-hydroxy-3-methoxy-3-methylbutan-2-one
CID 126974632
methyl (3S,5S)-5-(aminomethyl)morpholine-3-carboxylate
CID 141446845

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-(5-methylmorpholin-3-yl)butan-2-one?
The IUPAC name of 3-methoxy-3-methyl-1-(5-methylmorpholin-3-yl)butan-2-one (CID 165475193) is 3-methoxy-3-methyl-1-(5-methylmorpholin-3-yl)butan-2-one.
What is the SMILES notation for 3-methoxy-3-methyl-1-(5-methylmorpholin-3-yl)butan-2-one?
The canonical SMILES for 3-methoxy-3-methyl-1-(5-methylmorpholin-3-yl)butan-2-one is COC(C)(C)C(=O)CC1COCC(C)N1.
What is the InChIKey of 3-methoxy-3-methyl-1-(5-methylmorpholin-3-yl)butan-2-one?
The InChIKey is QWZDNIUQWYLOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8-6-15-7-9(12-8)5-10(13)11(2,3)14-4/h8-9,12H,5-7H2,1-4H3.
What are the key properties of 3-methoxy-3-methyl-1-(5-methylmorpholin-3-yl)butan-2-one?
3-methoxy-3-methyl-1-(5-methylmorpholin-3-yl)butan-2-one has a molecular weight of 215.29 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-(5-methylmorpholin-3-yl)butan-2-one is sourced from PubChem (CID 165475193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).