[4-(dimethylamino)-1-ethoxy-4-oxobutylidene]-dimethylazanium

C10H21N2O2+ — CID 134897890

IUPAC[4-(dimethylamino)-1-ethoxy-4-oxobutylidene]-dimethylazanium
SMILESCCOC(CCC(=O)N(C)C)=[N+](C)C
InChIInChI=1S/C10H21N2O2/c1-6-14-10(12(4)5)8-7-9(13)11(2)3/h6-8H2,1-5H3/q+1
InChIKeyCUFWXWNHNXURLH-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.56
Rot. Bonds4

About [4-(dimethylamino)-1-ethoxy-4-oxobutylidene]-dimethylazanium

[4-(dimethylamino)-1-ethoxy-4-oxobutylidene]-dimethylazanium (PubChem CID 134897890) has the molecular formula C10H21N2O2+ and a molecular weight of 201.29 g/mol. Its IUPAC name is [4-(dimethylamino)-1-ethoxy-4-oxobutylidene]-dimethylazanium.

Molecular Properties

Compound Name[4-(dimethylamino)-1-ethoxy-4-oxobutylidene]-dimethylazanium
PubChem CID134897890
Molecular FormulaC10H21N2O2+
Molecular Weight201.29 g/mol
Exact Mass201.16
IUPAC Name[4-(dimethylamino)-1-ethoxy-4-oxobutylidene]-dimethylazanium
SMILESCCOC(CCC(=O)N(C)C)=[N+](C)C
InChIInChI=1S/C10H21N2O2/c1-6-14-10(12(4)5)8-7-9(13)11(2)3/h6-8H2,1-5H3/q+1
InChIKeyCUFWXWNHNXURLH-UHFFFAOYSA-N
XLogP0.56
TPSA32.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[4-(dimethylamino)-1-ethoxy-4-oxobutylidene]-dimethylazanium tetrafluoroborate
CID 134897889
N,N-dimethylbutanamide;hydrochloride
CID 87498306
[dimethylamino(ethoxy)methylidene]-dimethylazanium iodide
CID 87764274
chloromethyl 4-(dimethylamino)-4-oxobutanoate
CID 19735984
diethyl carbonate;N,N-dimethylmethanamine
CID 88502244
3-methoxy-N,N-dimethylpropanamide
CID 159478663
3-[2-[2-[2-[3-(dimethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-N,N-dimethylpropanamide
CID 71364213
[3-(dimethylamino)-3-oxopropyl] 2-methylpropanoate
CID 134364570
ethyl N-[2-(dimethylamino)-2-oxoethyl]carbamate
CID 60652344
N,N,5-trimethyl-4-oxoheptanamide
CID 88975124
tert-butyl 4-(dimethylamino)-4-oxobutanoate
CID 106706987
N,N-dimethyldecanamide;N,N-dimethyloctanamide
CID 155099591

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-1-ethoxy-4-oxobutylidene]-dimethylazanium?
The IUPAC name of [4-(dimethylamino)-1-ethoxy-4-oxobutylidene]-dimethylazanium (CID 134897890) is [4-(dimethylamino)-1-ethoxy-4-oxobutylidene]-dimethylazanium.
What is the SMILES notation for [4-(dimethylamino)-1-ethoxy-4-oxobutylidene]-dimethylazanium?
The canonical SMILES for [4-(dimethylamino)-1-ethoxy-4-oxobutylidene]-dimethylazanium is CCOC(CCC(=O)N(C)C)=[N+](C)C.
What is the InChIKey of [4-(dimethylamino)-1-ethoxy-4-oxobutylidene]-dimethylazanium?
The InChIKey is CUFWXWNHNXURLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N2O2/c1-6-14-10(12(4)5)8-7-9(13)11(2)3/h6-8H2,1-5H3/q+1.
What are the key properties of [4-(dimethylamino)-1-ethoxy-4-oxobutylidene]-dimethylazanium?
[4-(dimethylamino)-1-ethoxy-4-oxobutylidene]-dimethylazanium has a molecular weight of 201.29 g/mol, XLogP of 0.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-1-ethoxy-4-oxobutylidene]-dimethylazanium is sourced from PubChem (CID 134897890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).