[dimethylamino-(methylideneamino)methylidene]-dimethylazanium

C6H14N3+ — CID 22400718

IUPAC[dimethylamino-(methylideneamino)methylidene]-dimethylazanium
SMILESC=NC(N(C)C)=[N+](C)C
InChIInChI=1S/C6H14N3/c1-7-6(8(2)3)9(4)5/h1H2,2-5H3/q+1
InChIKeyOKSVGSNNXZOADY-UHFFFAOYSA-N
MW128.20 g/mol
LogP-0.12
Rot. Bonds

About [dimethylamino-(methylideneamino)methylidene]-dimethylazanium

[dimethylamino-(methylideneamino)methylidene]-dimethylazanium (PubChem CID 22400718) has the molecular formula C6H14N3+ and a molecular weight of 128.20 g/mol. Its IUPAC name is [dimethylamino-(methylideneamino)methylidene]-dimethylazanium.

Molecular Properties

Compound Name[dimethylamino-(methylideneamino)methylidene]-dimethylazanium
PubChem CID22400718
Molecular FormulaC6H14N3+
Molecular Weight128.20 g/mol
Exact Mass128.12
IUPAC Name[dimethylamino-(methylideneamino)methylidene]-dimethylazanium
SMILESC=NC(N(C)C)=[N+](C)C
InChIInChI=1S/C6H14N3/c1-7-6(8(2)3)9(4)5/h1H2,2-5H3/q+1
InChIKeyOKSVGSNNXZOADY-UHFFFAOYSA-N
XLogP-0.12
TPSA18.61 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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Frequently Asked Questions

What is the IUPAC name of [dimethylamino-(methylideneamino)methylidene]-dimethylazanium?
The IUPAC name of [dimethylamino-(methylideneamino)methylidene]-dimethylazanium (CID 22400718) is [dimethylamino-(methylideneamino)methylidene]-dimethylazanium.
What is the SMILES notation for [dimethylamino-(methylideneamino)methylidene]-dimethylazanium?
The canonical SMILES for [dimethylamino-(methylideneamino)methylidene]-dimethylazanium is C=NC(N(C)C)=[N+](C)C.
What is the InChIKey of [dimethylamino-(methylideneamino)methylidene]-dimethylazanium?
The InChIKey is OKSVGSNNXZOADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N3/c1-7-6(8(2)3)9(4)5/h1H2,2-5H3/q+1.
What are the key properties of [dimethylamino-(methylideneamino)methylidene]-dimethylazanium?
[dimethylamino-(methylideneamino)methylidene]-dimethylazanium has a molecular weight of 128.20 g/mol, XLogP of -0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylamino-(methylideneamino)methylidene]-dimethylazanium is sourced from PubChem (CID 22400718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).