[dimethylamino(ethylamino)methylidene]-dimethylazanium

C7H18N3+ — CID 45029433

IUPAC[dimethylamino(ethylamino)methylidene]-dimethylazanium
SMILESCCNC(N(C)C)=[N+](C)C
InChIInChI=1S/C7H17N3/c1-6-8-7(9(2)3)10(4)5/h6H2,1-5H3/p+1
InChIKeyLJNQGWIMQCKPSH-UHFFFAOYSA-O
MW144.24 g/mol
LogP-0.21
Rot. Bonds1

About [dimethylamino(ethylamino)methylidene]-dimethylazanium

[dimethylamino(ethylamino)methylidene]-dimethylazanium (PubChem CID 45029433) has the molecular formula C7H18N3+ and a molecular weight of 144.24 g/mol. Its IUPAC name is [dimethylamino(ethylamino)methylidene]-dimethylazanium.

Molecular Properties

Compound Name[dimethylamino(ethylamino)methylidene]-dimethylazanium
PubChem CID45029433
Molecular FormulaC7H18N3+
Molecular Weight144.24 g/mol
Exact Mass144.15
IUPAC Name[dimethylamino(ethylamino)methylidene]-dimethylazanium
SMILESCCNC(N(C)C)=[N+](C)C
InChIInChI=1S/C7H17N3/c1-6-8-7(9(2)3)10(4)5/h6H2,1-5H3/p+1
InChIKeyLJNQGWIMQCKPSH-UHFFFAOYSA-O
XLogP-0.21
TPSA18.28 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
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(ethylamino)methylidene]-dimethylazanium?
The IUPAC name of [dimethylamino(ethylamino)methylidene]-dimethylazanium (CID 45029433) is [dimethylamino(ethylamino)methylidene]-dimethylazanium.
What is the SMILES notation for [dimethylamino(ethylamino)methylidene]-dimethylazanium?
The canonical SMILES for [dimethylamino(ethylamino)methylidene]-dimethylazanium is CCNC(N(C)C)=[N+](C)C.
What is the InChIKey of [dimethylamino(ethylamino)methylidene]-dimethylazanium?
The InChIKey is LJNQGWIMQCKPSH-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H17N3/c1-6-8-7(9(2)3)10(4)5/h6H2,1-5H3/p+1.
What are the key properties of [dimethylamino(ethylamino)methylidene]-dimethylazanium?
[dimethylamino(ethylamino)methylidene]-dimethylazanium has a molecular weight of 144.24 g/mol, XLogP of -0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylamino(ethylamino)methylidene]-dimethylazanium is sourced from PubChem (CID 45029433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).