1-(2,2-dimethylmorpholin-4-yl)-3-(ethylamino)butan-1-one

C12H24N2O2 — CID 62838796

IUPAC1-(2,2-dimethylmorpholin-4-yl)-3-(ethylamino)butan-1-one
SMILESCCNC(C)CC(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C12H24N2O2/c1-5-13-10(2)8-11(15)14-6-7-16-12(3,4)9-14/h10,13H,5-9H2,1-4H3
InChIKeyJHEHBNKPJUHZAF-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.01
Rot. Bonds4

About 1-(2,2-dimethylmorpholin-4-yl)-3-(ethylamino)butan-1-one

1-(2,2-dimethylmorpholin-4-yl)-3-(ethylamino)butan-1-one (PubChem CID 62838796) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(2,2-dimethylmorpholin-4-yl)-3-(ethylamino)butan-1-one.

Molecular Properties

Compound Name1-(2,2-dimethylmorpholin-4-yl)-3-(ethylamino)butan-1-one
PubChem CID62838796
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-(2,2-dimethylmorpholin-4-yl)-3-(ethylamino)butan-1-one
SMILESCCNC(C)CC(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C12H24N2O2/c1-5-13-10(2)8-11(15)14-6-7-16-12(3,4)9-14/h10,13H,5-9H2,1-4H3
InChIKeyJHEHBNKPJUHZAF-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylmorpholin-4-yl)-3-(ethylamino)butan-1-one?
The IUPAC name of 1-(2,2-dimethylmorpholin-4-yl)-3-(ethylamino)butan-1-one (CID 62838796) is 1-(2,2-dimethylmorpholin-4-yl)-3-(ethylamino)butan-1-one.
What is the SMILES notation for 1-(2,2-dimethylmorpholin-4-yl)-3-(ethylamino)butan-1-one?
The canonical SMILES for 1-(2,2-dimethylmorpholin-4-yl)-3-(ethylamino)butan-1-one is CCNC(C)CC(=O)N1CCOC(C)(C)C1.
What is the InChIKey of 1-(2,2-dimethylmorpholin-4-yl)-3-(ethylamino)butan-1-one?
The InChIKey is JHEHBNKPJUHZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-13-10(2)8-11(15)14-6-7-16-12(3,4)9-14/h10,13H,5-9H2,1-4H3.
What are the key properties of 1-(2,2-dimethylmorpholin-4-yl)-3-(ethylamino)butan-1-one?
1-(2,2-dimethylmorpholin-4-yl)-3-(ethylamino)butan-1-one has a molecular weight of 228.34 g/mol, XLogP of 1.01, 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)-3-(ethylamino)butan-1-one is sourced from PubChem (CID 62838796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).