[chloro(diethylamino)methylidene]-dimethylazanium

C7H16ClN2+ — CID 13484280

IUPAC[chloro(diethylamino)methylidene]-dimethylazanium
SMILESCCN(CC)C(Cl)=[N+](C)C
InChIInChI=1S/C7H16ClN2/c1-5-10(6-2)7(8)9(3)4/h5-6H2,1-4H3/q+1
InChIKeyBXUXLGCQXQNOOC-UHFFFAOYSA-N
MW163.67 g/mol
LogP1.20
Rot. Bonds2

About [chloro(diethylamino)methylidene]-dimethylazanium

[chloro(diethylamino)methylidene]-dimethylazanium (PubChem CID 13484280) has the molecular formula C7H16ClN2+ and a molecular weight of 163.67 g/mol. Its IUPAC name is [chloro(diethylamino)methylidene]-dimethylazanium.

Molecular Properties

Compound Name[chloro(diethylamino)methylidene]-dimethylazanium
PubChem CID13484280
Molecular FormulaC7H16ClN2+
Molecular Weight163.67 g/mol
Exact Mass163.10
IUPAC Name[chloro(diethylamino)methylidene]-dimethylazanium
SMILESCCN(CC)C(Cl)=[N+](C)C
InChIInChI=1S/C7H16ClN2/c1-5-10(6-2)7(8)9(3)4/h5-6H2,1-4H3/q+1
InChIKeyBXUXLGCQXQNOOC-UHFFFAOYSA-N
XLogP1.20
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.67
LogP ≤ 51.20
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?
The IUPAC name of [chloro(diethylamino)methylidene]-dimethylazanium (CID 13484280) is [chloro(diethylamino)methylidene]-dimethylazanium.
What is the SMILES notation for [chloro(diethylamino)methylidene]-dimethylazanium?
The canonical SMILES for [chloro(diethylamino)methylidene]-dimethylazanium is CCN(CC)C(Cl)=[N+](C)C.
What is the InChIKey of [chloro(diethylamino)methylidene]-dimethylazanium?
The InChIKey is BXUXLGCQXQNOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16ClN2/c1-5-10(6-2)7(8)9(3)4/h5-6H2,1-4H3/q+1.
What are the key properties of [chloro(diethylamino)methylidene]-dimethylazanium?
[chloro(diethylamino)methylidene]-dimethylazanium has a molecular weight of 163.67 g/mol, XLogP of 1.20, 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 is sourced from PubChem (CID 13484280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).