[chloro(diethylamino)methylidene]-dimethylazanium chloride

C7H16Cl2N2 — CID 13484279

IUPAC[chloro(diethylamino)methylidene]-dimethylazanium chloride
SMILESCCN(CC)C(Cl)=[N+](C)C.[Cl-]
InChIInChI=1S/C7H16ClN2.ClH/c1-5-10(6-2)7(8)9(3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
InChIKeyDRJFMYBHEUCGIL-UHFFFAOYSA-M
MW199.12 g/mol
LogP-1.80
Rot. Bonds2

About [chloro(diethylamino)methylidene]-dimethylazanium chloride

[chloro(diethylamino)methylidene]-dimethylazanium chloride (PubChem CID 13484279) has the molecular formula C7H16Cl2N2 and a molecular weight of 199.12 g/mol. Its IUPAC name is [chloro(diethylamino)methylidene]-dimethylazanium chloride.

Molecular Properties

Compound Name[chloro(diethylamino)methylidene]-dimethylazanium chloride
PubChem CID13484279
Molecular FormulaC7H16Cl2N2
Molecular Weight199.12 g/mol
Exact Mass198.07
IUPAC Name[chloro(diethylamino)methylidene]-dimethylazanium chloride
SMILESCCN(CC)C(Cl)=[N+](C)C.[Cl-]
InChIInChI=1S/C7H16ClN2.ClH/c1-5-10(6-2)7(8)9(3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
InChIKeyDRJFMYBHEUCGIL-UHFFFAOYSA-M
XLogP-1.80
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.12
LogP ≤ 5-1.80
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': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [chloro(diethylamino)methylidene]-dimethylazanium chloride?
The IUPAC name of [chloro(diethylamino)methylidene]-dimethylazanium chloride (CID 13484279) is [chloro(diethylamino)methylidene]-dimethylazanium chloride.
What is the SMILES notation for [chloro(diethylamino)methylidene]-dimethylazanium chloride?
The canonical SMILES for [chloro(diethylamino)methylidene]-dimethylazanium chloride is CCN(CC)C(Cl)=[N+](C)C.[Cl-].
What is the InChIKey of [chloro(diethylamino)methylidene]-dimethylazanium chloride?
The InChIKey is DRJFMYBHEUCGIL-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H16ClN2.ClH/c1-5-10(6-2)7(8)9(3)4;/h5-6H2,1-4H3;1H/q+1;/p-1.
What are the key properties of [chloro(diethylamino)methylidene]-dimethylazanium chloride?
[chloro(diethylamino)methylidene]-dimethylazanium chloride has a molecular weight of 199.12 g/mol, XLogP of -1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(diethylamino)methylidene]-dimethylazanium chloride is sourced from PubChem (CID 13484279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).