1-(2,5-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one

C11H22N2O2 — CID 60842405

IUPAC1-(2,5-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one
SMILESCNCCCC(=O)N1CC(C)OCC1C
InChIInChI=1S/C11H22N2O2/c1-9-8-15-10(2)7-13(9)11(14)5-4-6-12-3/h9-10,12H,4-8H2,1-3H3
InChIKeyWBSHKCRYLQYXQY-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.62
Rot. Bonds4

About 1-(2,5-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one

1-(2,5-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one (PubChem CID 60842405) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(2,5-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one.

Molecular Properties

Compound Name1-(2,5-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one
PubChem CID60842405
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-(2,5-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one
SMILESCNCCCC(=O)N1CC(C)OCC1C
InChIInChI=1S/C11H22N2O2/c1-9-8-15-10(2)7-13(9)11(14)5-4-6-12-3/h9-10,12H,4-8H2,1-3H3
InChIKeyWBSHKCRYLQYXQY-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one?
The IUPAC name of 1-(2,5-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one (CID 60842405) is 1-(2,5-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one.
What is the SMILES notation for 1-(2,5-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one?
The canonical SMILES for 1-(2,5-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one is CNCCCC(=O)N1CC(C)OCC1C.
What is the InChIKey of 1-(2,5-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one?
The InChIKey is WBSHKCRYLQYXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9-8-15-10(2)7-13(9)11(14)5-4-6-12-3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 1-(2,5-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one?
1-(2,5-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one is sourced from PubChem (CID 60842405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).