1-ethoxy-N,N-dimethylethenamine oxide

C6H13NO2 — CID 10103207

IUPAC1-ethoxy-N,N-dimethylethenamine oxide
SMILESC=C(OCC)[N+](C)(C)[O-]
InChIInChI=1S/C6H13NO2/c1-5-9-6(2)7(3,4)8/h2,5H2,1,3-4H3
InChIKeyYFJHHGAPLMYDIB-UHFFFAOYSA-N
MW131.18 g/mol
LogP1.07
Rot. Bonds3

About 1-ethoxy-N,N-dimethylethenamine oxide

1-ethoxy-N,N-dimethylethenamine oxide (PubChem CID 10103207) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 1-ethoxy-N,N-dimethylethenamine oxide.

Molecular Properties

Compound Name1-ethoxy-N,N-dimethylethenamine oxide
PubChem CID10103207
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name1-ethoxy-N,N-dimethylethenamine oxide
SMILESC=C(OCC)[N+](C)(C)[O-]
InChIInChI=1S/C6H13NO2/c1-5-9-6(2)7(3,4)8/h2,5H2,1,3-4H3
InChIKeyYFJHHGAPLMYDIB-UHFFFAOYSA-N
XLogP1.07
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N,N-dimethylethenamine oxide?
The IUPAC name of 1-ethoxy-N,N-dimethylethenamine oxide (CID 10103207) is 1-ethoxy-N,N-dimethylethenamine oxide.
What is the SMILES notation for 1-ethoxy-N,N-dimethylethenamine oxide?
The canonical SMILES for 1-ethoxy-N,N-dimethylethenamine oxide is C=C(OCC)[N+](C)(C)[O-].
What is the InChIKey of 1-ethoxy-N,N-dimethylethenamine oxide?
The InChIKey is YFJHHGAPLMYDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-5-9-6(2)7(3,4)8/h2,5H2,1,3-4H3.
What are the key properties of 1-ethoxy-N,N-dimethylethenamine oxide?
1-ethoxy-N,N-dimethylethenamine oxide has a molecular weight of 131.18 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N,N-dimethylethenamine oxide is sourced from PubChem (CID 10103207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).