[3-(dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium

C10H22N4+2 — CID 78291301

IUPAC[3-(dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium
SMILESCN(C)C=C(C=[N+](C)C)NC=[N+](C)C
InChIInChI=1S/C10H21N4/c1-12(2)7-10(8-13(3)4)11-9-14(5)6/h7-9H,1-6H3/q+1/p+1
InChIKeyDCNQDOWDZCAVDS-UHFFFAOYSA-O
MW198.31 g/mol
LogP-0.38
Rot. Bonds4

About [3-(dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium

[3-(dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium (PubChem CID 78291301) has the molecular formula C10H22N4+2 and a molecular weight of 198.31 g/mol. Its IUPAC name is [3-(dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium.

Molecular Properties

Compound Name[3-(dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium
PubChem CID78291301
Molecular FormulaC10H22N4+2
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name[3-(dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium
SMILESCN(C)C=C(C=[N+](C)C)NC=[N+](C)C
InChIInChI=1S/C10H21N4/c1-12(2)7-10(8-13(3)4)11-9-14(5)6/h7-9H,1-6H3/q+1/p+1
InChIKeyDCNQDOWDZCAVDS-UHFFFAOYSA-O
XLogP-0.38
TPSA21.29 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

[(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-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium
CID 2724950
[(Z)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium
CID 12216197
1,3,5-trimethyl-1H-imidazole-1,3-diium
CID 58187923
N'-methyl-N-[(E)-1-(methyliminomethylamino)prop-1-en-2-yl]methanimidamide
CID 90453085
[[(Z)-1-(dimethylamino)-3-methyliminoprop-1-en-2-yl]amino]methylidene-dimethylazanium
CID 90850662
N-but-2-en-2-yl-N'-[(2Z)-2-(ethylidenehydrazinylidene)ethyl]methanimidamide
CID 123751085
N'-[(Z)-2-aminoethenyl]-N-[(prop-1-en-2-ylamino)methylidene]methanimidamide
CID 141768011
[(E)-2-(dimethylazaniumylidenemethylamino)-3-(methylamino)prop-2-enylidene]-dimethylazanium
CID 143740484
[(Z)-3-(dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium;ethane
CID 143740498
N-methyl-N-[1-(methylamino)ethyl]-N'-prop-1-en-2-ylmethanimidamide
CID 155310279

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium?
The IUPAC name of [3-(dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium (CID 78291301) is [3-(dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium.
What is the SMILES notation for [3-(dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium?
The canonical SMILES for [3-(dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium is CN(C)C=C(C=[N+](C)C)NC=[N+](C)C.
What is the InChIKey of [3-(dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium?
The InChIKey is DCNQDOWDZCAVDS-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H21N4/c1-12(2)7-10(8-13(3)4)11-9-14(5)6/h7-9H,1-6H3/q+1/p+1.
What are the key properties of [3-(dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium?
[3-(dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium has a molecular weight of 198.31 g/mol, XLogP of -0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium is sourced from PubChem (CID 78291301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).