[ethoxy(ethylamino)methylidene]-diethylazanium

C9H21N2O+ — CID 90766260

IUPAC[ethoxy(ethylamino)methylidene]-diethylazanium
SMILESCCNC(OCC)=[N+](CC)CC
InChIInChI=1S/C9H20N2O/c1-5-10-9(12-8-4)11(6-2)7-3/h5-8H2,1-4H3/p+1
InChIKeyAMTSXNBTQFFZHD-UHFFFAOYSA-O
MW173.28 g/mol
LogP1.04
Rot. Bonds4

About [ethoxy(ethylamino)methylidene]-diethylazanium

[ethoxy(ethylamino)methylidene]-diethylazanium (PubChem CID 90766260) has the molecular formula C9H21N2O+ and a molecular weight of 173.28 g/mol. Its IUPAC name is [ethoxy(ethylamino)methylidene]-diethylazanium.

Molecular Properties

Compound Name[ethoxy(ethylamino)methylidene]-diethylazanium
PubChem CID90766260
Molecular FormulaC9H21N2O+
Molecular Weight173.28 g/mol
Exact Mass173.16
IUPAC Name[ethoxy(ethylamino)methylidene]-diethylazanium
SMILESCCNC(OCC)=[N+](CC)CC
InChIInChI=1S/C9H20N2O/c1-5-10-9(12-8-4)11(6-2)7-3/h5-8H2,1-4H3/p+1
InChIKeyAMTSXNBTQFFZHD-UHFFFAOYSA-O
XLogP1.04
TPSA24.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}

Analyze [ethoxy(ethylamino)methylidene]-diethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [ethoxy(ethylamino)methylidene]-diethylazanium?
The IUPAC name of [ethoxy(ethylamino)methylidene]-diethylazanium (CID 90766260) is [ethoxy(ethylamino)methylidene]-diethylazanium.
What is the SMILES notation for [ethoxy(ethylamino)methylidene]-diethylazanium?
The canonical SMILES for [ethoxy(ethylamino)methylidene]-diethylazanium is CCNC(OCC)=[N+](CC)CC.
What is the InChIKey of [ethoxy(ethylamino)methylidene]-diethylazanium?
The InChIKey is AMTSXNBTQFFZHD-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H20N2O/c1-5-10-9(12-8-4)11(6-2)7-3/h5-8H2,1-4H3/p+1.
What are the key properties of [ethoxy(ethylamino)methylidene]-diethylazanium?
[ethoxy(ethylamino)methylidene]-diethylazanium has a molecular weight of 173.28 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy(ethylamino)methylidene]-diethylazanium is sourced from PubChem (CID 90766260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).