diethylaminomethylidene(diethyl)azanium chloride

C9H21ClN2 — CID 87214741

IUPACdiethylaminomethylidene(diethyl)azanium chloride
SMILESCCN(C=[N+](CC)CC)CC.[Cl-]
InChIInChI=1S/C9H21N2.ClH/c1-5-10(6-2)9-11(7-3)8-4;/h9H,5-8H2,1-4H3;1H/q+1;/p-1
InChIKeyQDLDLIRAAPKFKY-UHFFFAOYSA-M
MW192.73 g/mol
LogP-1.59
Rot. Bonds5

About diethylaminomethylidene(diethyl)azanium chloride

diethylaminomethylidene(diethyl)azanium chloride (PubChem CID 87214741) has the molecular formula C9H21ClN2 and a molecular weight of 192.73 g/mol. Its IUPAC name is diethylaminomethylidene(diethyl)azanium chloride.

Molecular Properties

Compound Namediethylaminomethylidene(diethyl)azanium chloride
PubChem CID87214741
Molecular FormulaC9H21ClN2
Molecular Weight192.73 g/mol
Exact Mass192.14
IUPAC Namediethylaminomethylidene(diethyl)azanium chloride
SMILESCCN(C=[N+](CC)CC)CC.[Cl-]
InChIInChI=1S/C9H21N2.ClH/c1-5-10(6-2)9-11(7-3)8-4;/h9H,5-8H2,1-4H3;1H/q+1;/p-1
InChIKeyQDLDLIRAAPKFKY-UHFFFAOYSA-M
XLogP-1.59
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.73
LogP ≤ 5-1.59
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

Ethanaminium, N-[bis(diethylamino)methylene]-N-ethyl-, chloride (1:1)
CID 9795249
[Diethylamino(fluoro)methylidene]-diethylazanium
CID 11500706
[Chloro(diethylamino)methylidene]-diethylazanium chloride
CID 10900351
[Chloro(diethylamino)methylidene]-diethylazanium
CID 10900352
N,N,N'-tri(propan-2-yl)methanimidamide
CID 12175794
[Chloro(diethylamino)methylidene]-dimethylazanium chloride
CID 13484279
triethyl-(N,N,N'-triethylcarbamimidoyl)azanium chloride
CID 17906762
Diethylaminomethylidene(dimethyl)azanium;hexachloroantimony(1-)
CID 134988533
Diethylaminomethylidene(diethyl)azanium perchlorate
CID 176442015
Diethylaminomethylidene(dimethyl)azanium chloride
CID 10130127
Diethylaminomethylidene(dimethyl)azanium
CID 10130128
Diethylaminomethylidene(diethyl)azanium
CID 11032102

Frequently Asked Questions

What is the IUPAC name of diethylaminomethylidene(diethyl)azanium chloride?
The IUPAC name of diethylaminomethylidene(diethyl)azanium chloride (CID 87214741) is diethylaminomethylidene(diethyl)azanium chloride.
What is the SMILES notation for diethylaminomethylidene(diethyl)azanium chloride?
The canonical SMILES for diethylaminomethylidene(diethyl)azanium chloride is CCN(C=[N+](CC)CC)CC.[Cl-].
What is the InChIKey of diethylaminomethylidene(diethyl)azanium chloride?
The InChIKey is QDLDLIRAAPKFKY-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H21N2.ClH/c1-5-10(6-2)9-11(7-3)8-4;/h9H,5-8H2,1-4H3;1H/q+1;/p-1.
What are the key properties of diethylaminomethylidene(diethyl)azanium chloride?
diethylaminomethylidene(diethyl)azanium chloride has a molecular weight of 192.73 g/mol, XLogP of -1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethylaminomethylidene(diethyl)azanium chloride is sourced from PubChem (CID 87214741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).