diethylaminomethylidene(dimethyl)azanium chloride

C7H17ClN2 — CID 10130127

IUPACdiethylaminomethylidene(dimethyl)azanium chloride
SMILESCCN(C=[N+](C)C)CC.[Cl-]
InChIInChI=1S/C7H17N2.ClH/c1-5-9(6-2)7-8(3)4;/h7H,5-6H2,1-4H3;1H/q+1;/p-1
InChIKeyAOBVJJYLXYYBKB-UHFFFAOYSA-M
MW164.68 g/mol
LogP-2.37
Rot. Bonds3

About diethylaminomethylidene(dimethyl)azanium chloride

diethylaminomethylidene(dimethyl)azanium chloride (PubChem CID 10130127) has the molecular formula C7H17ClN2 and a molecular weight of 164.68 g/mol. Its IUPAC name is diethylaminomethylidene(dimethyl)azanium chloride.

Molecular Properties

Compound Namediethylaminomethylidene(dimethyl)azanium chloride
PubChem CID10130127
Molecular FormulaC7H17ClN2
Molecular Weight164.68 g/mol
Exact Mass164.11
IUPAC Namediethylaminomethylidene(dimethyl)azanium chloride
SMILESCCN(C=[N+](C)C)CC.[Cl-]
InChIInChI=1S/C7H17N2.ClH/c1-5-9(6-2)7-8(3)4;/h7H,5-6H2,1-4H3;1H/q+1;/p-1
InChIKeyAOBVJJYLXYYBKB-UHFFFAOYSA-M
XLogP-2.37
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.68
LogP ≤ 5-2.37
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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Related Compounds

[Chloro(diethylamino)methylidene]-diethylazanium chloride
CID 10900351
[Chloro(diethylamino)methylidene]-diethylazanium
CID 10900352
[Chloro(diethylamino)methylidene]-dimethylazanium chloride
CID 13484279
Diethylaminomethylidene(diethyl)azanium chloride
CID 87214741
Diethylaminomethylidene(dimethyl)azanium;hexachloroantimony(1-)
CID 134988533
Diethylaminomethylidene(diethyl)azanium perchlorate
CID 176442015
Methanimidamide, N'-ethyl-N,N-dimethyl-
CID 6432689
Diethylaminomethylidene(dimethyl)azanium
CID 10130128
Diethylaminomethylidene(diethyl)azanium
CID 11032102
N,N-diethyl-N'-methylmethanimidamide
CID 13042425
N,N,N'-triethylmethanimidamide
CID 13042428
[Chloro(diethylamino)methylidene]-dimethylazanium
CID 13484280

Frequently Asked Questions

What is the IUPAC name of diethylaminomethylidene(dimethyl)azanium chloride?
The IUPAC name of diethylaminomethylidene(dimethyl)azanium chloride (CID 10130127) is diethylaminomethylidene(dimethyl)azanium chloride.
What is the SMILES notation for diethylaminomethylidene(dimethyl)azanium chloride?
The canonical SMILES for diethylaminomethylidene(dimethyl)azanium chloride is CCN(C=[N+](C)C)CC.[Cl-].
What is the InChIKey of diethylaminomethylidene(dimethyl)azanium chloride?
The InChIKey is AOBVJJYLXYYBKB-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H17N2.ClH/c1-5-9(6-2)7-8(3)4;/h7H,5-6H2,1-4H3;1H/q+1;/p-1.
What are the key properties of diethylaminomethylidene(dimethyl)azanium chloride?
diethylaminomethylidene(dimethyl)azanium chloride has a molecular weight of 164.68 g/mol, XLogP of -2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethylaminomethylidene(dimethyl)azanium chloride is sourced from PubChem (CID 10130127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).