4-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylbutan-1-one

C11H22N2O2 — CID 81071477

IUPAC4-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylbutan-1-one
SMILESCC(CN)CC(=O)N1CC(C)OCC1C
InChIInChI=1S/C11H22N2O2/c1-8(5-12)4-11(14)13-6-10(3)15-7-9(13)2/h8-10H,4-7,12H2,1-3H3
InChIKeyJVKVGWMSOLEFNV-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.61
Rot. Bonds3

About 4-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylbutan-1-one

4-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylbutan-1-one (PubChem CID 81071477) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name4-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylbutan-1-one
PubChem CID81071477
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylbutan-1-one
SMILESCC(CN)CC(=O)N1CC(C)OCC1C
InChIInChI=1S/C11H22N2O2/c1-8(5-12)4-11(14)13-6-10(3)15-7-9(13)2/h8-10H,4-7,12H2,1-3H3
InChIKeyJVKVGWMSOLEFNV-UHFFFAOYSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-methylsulfanylethanone
CID 94053963
1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-methylsulfanylethanone
CID 94053964
1-(2,5-dimethylmorpholin-4-yl)-2-sulfanylpropan-1-one
CID 107022948
2-(1-aminocyclobutyl)-1-(2,5-dimethylmorpholin-4-yl)ethanone
CID 79851814
2-[4-(aminomethyl)phenyl]-1-(2,5-dimethylmorpholin-4-yl)ethanone
CID 55213909
2-cyclopentyl-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]ethanone
CID 95157279
(2S)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylpentan-1-one
CID 61172286
1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]octan-1-one
CID 98368513
3-amino-1-(5-ethyl-2-methylmorpholin-4-yl)butan-1-one;hydrochloride
CID 119682269
1-(2,5-dimethylmorpholin-4-yl)-2,2-difluoroethanone
CID 103515326
1-(2,5-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one
CID 60842405
1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-3-methylbutan-1-one
CID 81211802

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylbutan-1-one?
The IUPAC name of 4-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylbutan-1-one (CID 81071477) is 4-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylbutan-1-one.
What is the SMILES notation for 4-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylbutan-1-one?
The canonical SMILES for 4-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylbutan-1-one is CC(CN)CC(=O)N1CC(C)OCC1C.
What is the InChIKey of 4-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylbutan-1-one?
The InChIKey is JVKVGWMSOLEFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(5-12)4-11(14)13-6-10(3)15-7-9(13)2/h8-10H,4-7,12H2,1-3H3.
What are the key properties of 4-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylbutan-1-one?
4-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylbutan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylbutan-1-one is sourced from PubChem (CID 81071477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).