[dimethylamino-(2-methoxyethylamino)methylidene]-dimethylazanium

C8H20N3O+ — CID 20688133

IUPAC[dimethylamino-(2-methoxyethylamino)methylidene]-dimethylazanium
SMILESCOCCNC(N(C)C)=[N+](C)C
InChIInChI=1S/C8H19N3O/c1-10(2)8(11(3)4)9-6-7-12-5/h6-7H2,1-5H3/p+1
InChIKeyHTQIYMYJFFMEOA-UHFFFAOYSA-O
MW174.27 g/mol
LogP-0.59
Rot. Bonds3

About [dimethylamino-(2-methoxyethylamino)methylidene]-dimethylazanium

[dimethylamino-(2-methoxyethylamino)methylidene]-dimethylazanium (PubChem CID 20688133) has the molecular formula C8H20N3O+ and a molecular weight of 174.27 g/mol. Its IUPAC name is [dimethylamino-(2-methoxyethylamino)methylidene]-dimethylazanium.

Molecular Properties

Compound Name[dimethylamino-(2-methoxyethylamino)methylidene]-dimethylazanium
PubChem CID20688133
Molecular FormulaC8H20N3O+
Molecular Weight174.27 g/mol
Exact Mass174.16
IUPAC Name[dimethylamino-(2-methoxyethylamino)methylidene]-dimethylazanium
SMILESCOCCNC(N(C)C)=[N+](C)C
InChIInChI=1S/C8H19N3O/c1-10(2)8(11(3)4)9-6-7-12-5/h6-7H2,1-5H3/p+1
InChIKeyHTQIYMYJFFMEOA-UHFFFAOYSA-O
XLogP-0.59
TPSA27.51 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of [dimethylamino-(2-methoxyethylamino)methylidene]-dimethylazanium?
The IUPAC name of [dimethylamino-(2-methoxyethylamino)methylidene]-dimethylazanium (CID 20688133) is [dimethylamino-(2-methoxyethylamino)methylidene]-dimethylazanium.
What is the SMILES notation for [dimethylamino-(2-methoxyethylamino)methylidene]-dimethylazanium?
The canonical SMILES for [dimethylamino-(2-methoxyethylamino)methylidene]-dimethylazanium is COCCNC(N(C)C)=[N+](C)C.
What is the InChIKey of [dimethylamino-(2-methoxyethylamino)methylidene]-dimethylazanium?
The InChIKey is HTQIYMYJFFMEOA-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H19N3O/c1-10(2)8(11(3)4)9-6-7-12-5/h6-7H2,1-5H3/p+1.
What are the key properties of [dimethylamino-(2-methoxyethylamino)methylidene]-dimethylazanium?
[dimethylamino-(2-methoxyethylamino)methylidene]-dimethylazanium has a molecular weight of 174.27 g/mol, XLogP of -0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylamino-(2-methoxyethylamino)methylidene]-dimethylazanium is sourced from PubChem (CID 20688133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).