[[bis(2-methoxyethyl)amino]-(dimethylamino)methylidene]-dimethylazanium

C11H26N3O2+ — CID 20688134

IUPAC[[bis(2-methoxyethyl)amino]-(dimethylamino)methylidene]-dimethylazanium
SMILESCOCCN(CCOC)C(N(C)C)=[N+](C)C
InChIInChI=1S/C11H26N3O2/c1-12(2)11(13(3)4)14(7-9-15-5)8-10-16-6/h7-10H2,1-6H3/q+1
InChIKeyGLZSSDLSXPYYNB-UHFFFAOYSA-N
MW232.35 g/mol
LogP-0.23
Rot. Bonds6

About [[bis(2-methoxyethyl)amino]-(dimethylamino)methylidene]-dimethylazanium

[[bis(2-methoxyethyl)amino]-(dimethylamino)methylidene]-dimethylazanium (PubChem CID 20688134) has the molecular formula C11H26N3O2+ and a molecular weight of 232.35 g/mol. Its IUPAC name is [[bis(2-methoxyethyl)amino]-(dimethylamino)methylidene]-dimethylazanium.

Molecular Properties

Compound Name[[bis(2-methoxyethyl)amino]-(dimethylamino)methylidene]-dimethylazanium
PubChem CID20688134
Molecular FormulaC11H26N3O2+
Molecular Weight232.35 g/mol
Exact Mass232.20
IUPAC Name[[bis(2-methoxyethyl)amino]-(dimethylamino)methylidene]-dimethylazanium
SMILESCOCCN(CCOC)C(N(C)C)=[N+](C)C
InChIInChI=1S/C11H26N3O2/c1-12(2)11(13(3)4)14(7-9-15-5)8-10-16-6/h7-10H2,1-6H3/q+1
InChIKeyGLZSSDLSXPYYNB-UHFFFAOYSA-N
XLogP-0.23
TPSA27.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 5-0.23
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'}

Analyze [[bis(2-methoxyethyl)amino]-(dimethylamino)methylidene]-dimethylazanium 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 [[bis(2-methoxyethyl)amino]-(dimethylamino)methylidene]-dimethylazanium?
The IUPAC name of [[bis(2-methoxyethyl)amino]-(dimethylamino)methylidene]-dimethylazanium (CID 20688134) is [[bis(2-methoxyethyl)amino]-(dimethylamino)methylidene]-dimethylazanium.
What is the SMILES notation for [[bis(2-methoxyethyl)amino]-(dimethylamino)methylidene]-dimethylazanium?
The canonical SMILES for [[bis(2-methoxyethyl)amino]-(dimethylamino)methylidene]-dimethylazanium is COCCN(CCOC)C(N(C)C)=[N+](C)C.
What is the InChIKey of [[bis(2-methoxyethyl)amino]-(dimethylamino)methylidene]-dimethylazanium?
The InChIKey is GLZSSDLSXPYYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N3O2/c1-12(2)11(13(3)4)14(7-9-15-5)8-10-16-6/h7-10H2,1-6H3/q+1.
What are the key properties of [[bis(2-methoxyethyl)amino]-(dimethylamino)methylidene]-dimethylazanium?
[[bis(2-methoxyethyl)amino]-(dimethylamino)methylidene]-dimethylazanium has a molecular weight of 232.35 g/mol, XLogP of -0.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[bis(2-methoxyethyl)amino]-(dimethylamino)methylidene]-dimethylazanium is sourced from PubChem (CID 20688134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).