1-(2,2-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one;hydrochloride

C11H23ClN2O2 — CID 119732360

IUPAC1-(2,2-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one;hydrochloride
SMILESCNCCCC(=O)N1CCOC(C)(C)C1.Cl
InChIInChI=1S/C11H22N2O2.ClH/c1-11(2)9-13(7-8-15-11)10(14)5-4-6-12-3;/h12H,4-9H2,1-3H3;1H
InChIKeyUHORSCHTSAPWKS-UHFFFAOYSA-N
MW250.77 g/mol
LogP1.05
Rot. Bonds4

About 1-(2,2-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one;hydrochloride

1-(2,2-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one;hydrochloride (PubChem CID 119732360) has the molecular formula C11H23ClN2O2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 1-(2,2-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(2,2-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one;hydrochloride
PubChem CID119732360
Molecular FormulaC11H23ClN2O2
Molecular Weight250.77 g/mol
Exact Mass250.14
IUPAC Name1-(2,2-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one;hydrochloride
SMILESCNCCCC(=O)N1CCOC(C)(C)C1.Cl
InChIInChI=1S/C11H22N2O2.ClH/c1-11(2)9-13(7-8-15-11)10(14)5-4-6-12-3;/h12H,4-9H2,1-3H3;1H
InChIKeyUHORSCHTSAPWKS-UHFFFAOYSA-N
XLogP1.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 51.05
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

1-(2,2-dimethylmorpholin-4-yl)-2-(propan-2-ylamino)ethanone
CID 60841287
4-(methylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119834225
N-[3-(2,2-dimethylmorpholin-4-yl)-3-oxopropyl]-2-phenylacetamide
CID 86981316
1-(2,2-dimethylmorpholin-4-yl)-2-(2-methoxyethylamino)ethanone
CID 79282191
4-(methylamino)-1-(4-methylpiperazin-1-yl)butan-1-one
CID 60840946
N-ethyl-2,2-dimethylmorpholine-4-carboxamide
CID 115583911
1-(3,5-dimethylpiperidin-1-yl)-4-(methylamino)butan-1-one;hydrochloride
CID 119671954
1-(3-azaspiro[5.5]undecan-3-yl)-4-(methylamino)butan-1-one
CID 62930046
5-(2,2-dimethylmorpholin-4-yl)-3-methyl-5-oxopentanoic acid
CID 62964019
4-(methylamino)-N-(3-morpholin-4-yl-3-oxopropyl)butanamide
CID 113266090
N,2,2-trimethylmorpholine-4-carbothioamide
CID 115580682
4-(methylamino)-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119811823

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one;hydrochloride?
The IUPAC name of 1-(2,2-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one;hydrochloride (CID 119732360) is 1-(2,2-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one;hydrochloride.
What is the SMILES notation for 1-(2,2-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one;hydrochloride?
The canonical SMILES for 1-(2,2-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one;hydrochloride is CNCCCC(=O)N1CCOC(C)(C)C1.Cl.
What is the InChIKey of 1-(2,2-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one;hydrochloride?
The InChIKey is UHORSCHTSAPWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.ClH/c1-11(2)9-13(7-8-15-11)10(14)5-4-6-12-3;/h12H,4-9H2,1-3H3;1H.
What are the key properties of 1-(2,2-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one;hydrochloride?
1-(2,2-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one;hydrochloride has a molecular weight of 250.77 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one;hydrochloride is sourced from PubChem (CID 119732360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).