[(Z)-2,3-bis(dimethylamino)prop-2-enylidene]-dimethylazanium chloride

C9H20ClN3 — CID 134893672

IUPAC[(Z)-2,3-bis(dimethylamino)prop-2-enylidene]-dimethylazanium chloride
SMILESCN(C)/C=C(/C=[N+](C)C)N(C)C.[Cl-]
InChIInChI=1S/C9H20N3.ClH/c1-10(2)7-9(12(5)6)8-11(3)4;/h7-8H,1-6H3;1H/q+1;/p-1
InChIKeyCYCGEORHIZPICS-UHFFFAOYSA-M
MW205.73 g/mol
LogP-2.70
Rot. Bonds3

About [(Z)-2,3-bis(dimethylamino)prop-2-enylidene]-dimethylazanium chloride

[(Z)-2,3-bis(dimethylamino)prop-2-enylidene]-dimethylazanium chloride (PubChem CID 134893672) has the molecular formula C9H20ClN3 and a molecular weight of 205.73 g/mol. Its IUPAC name is [(Z)-2,3-bis(dimethylamino)prop-2-enylidene]-dimethylazanium chloride.

Molecular Properties

Compound Name[(Z)-2,3-bis(dimethylamino)prop-2-enylidene]-dimethylazanium chloride
PubChem CID134893672
Molecular FormulaC9H20ClN3
Molecular Weight205.73 g/mol
Exact Mass205.13
IUPAC Name[(Z)-2,3-bis(dimethylamino)prop-2-enylidene]-dimethylazanium chloride
SMILESCN(C)/C=C(/C=[N+](C)C)N(C)C.[Cl-]
InChIInChI=1S/C9H20N3.ClH/c1-10(2)7-9(12(5)6)8-11(3)4;/h7-8H,1-6H3;1H/q+1;/p-1
InChIKeyCYCGEORHIZPICS-UHFFFAOYSA-M
XLogP-2.70
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 5-2.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[(E)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium
CID 10803918
[3-(Dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium
CID 57359127
[(Z)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium
CID 12216197
[(Z)-3-(dimethylamino)but-2-enylidene]-dimethylazanium
CID 21132459
1-Methyl-2-methylidenepyrazine
CID 57557995
2-Methylidene-1-propan-2-ylpyrazine
CID 59517235
5-Tert-butyl-1-methyl-2-methylidenepyrazine
CID 59549203
1,5-Dimethyl-2-methylidenepyrazine
CID 60079390
N,N-diethylazet-3-amine
CID 70423110
[(Z)-2-amino-3-(dimethylamino)prop-2-enylidene]-dimethylazanium
CID 88929219
N,N-dimethyl-3-methyliminoprop-1-en-2-amine
CID 89398792
[2-Chloro-3-[ethyl(methyl)amino]prop-2-enylidene]-dimethylazanium
CID 90715688

Frequently Asked Questions

What is the IUPAC name of [(Z)-2,3-bis(dimethylamino)prop-2-enylidene]-dimethylazanium chloride?
The IUPAC name of [(Z)-2,3-bis(dimethylamino)prop-2-enylidene]-dimethylazanium chloride (CID 134893672) is [(Z)-2,3-bis(dimethylamino)prop-2-enylidene]-dimethylazanium chloride.
What is the SMILES notation for [(Z)-2,3-bis(dimethylamino)prop-2-enylidene]-dimethylazanium chloride?
The canonical SMILES for [(Z)-2,3-bis(dimethylamino)prop-2-enylidene]-dimethylazanium chloride is CN(C)/C=C(/C=[N+](C)C)N(C)C.[Cl-].
What is the InChIKey of [(Z)-2,3-bis(dimethylamino)prop-2-enylidene]-dimethylazanium chloride?
The InChIKey is CYCGEORHIZPICS-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H20N3.ClH/c1-10(2)7-9(12(5)6)8-11(3)4;/h7-8H,1-6H3;1H/q+1;/p-1.
What are the key properties of [(Z)-2,3-bis(dimethylamino)prop-2-enylidene]-dimethylazanium chloride?
[(Z)-2,3-bis(dimethylamino)prop-2-enylidene]-dimethylazanium chloride has a molecular weight of 205.73 g/mol, XLogP of -2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2,3-bis(dimethylamino)prop-2-enylidene]-dimethylazanium chloride is sourced from PubChem (CID 134893672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).