[(E)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium

C10H21N4+ — CID 10803918

IUPAC[(E)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium
SMILESCN(C)/C=N/C(C=[N+](C)C)=C/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/b11-9+
InChIKeyDCNQDOWDZCAVDS-PKNBQFBNSA-N
MW197.31 g/mol
LogP0.32
Rot. Bonds4

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

[(E)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium (PubChem CID 10803918) has the molecular formula C10H21N4+ and a molecular weight of 197.31 g/mol. Its IUPAC name is [(E)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium.

Molecular Properties

Compound Name[(E)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium
PubChem CID10803918
Molecular FormulaC10H21N4+
Molecular Weight197.31 g/mol
Exact Mass197.18
IUPAC Name[(E)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium
SMILESCN(C)/C=N/C(C=[N+](C)C)=C/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/b11-9+
InChIKeyDCNQDOWDZCAVDS-PKNBQFBNSA-N
XLogP0.32
TPSA21.85 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

[3-(Dimethylamino)-2-{[(dimethylamino)methylidene]amino}prop-2-en-1-ylidene]dimethylazanium perchlorate
CID 10803917
N-((2Z)-3-(dimethylamino)-2-{[(1E)-(dimethylamino)methylene]amino}prop-2-en-1-ylidene)-N-methylmethanaminium hexafluorophosphate
CID 23636340
[3-(Dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium
CID 57359127
N-(3-(Dimethylamino)-2-(((dimethylamino)methylene)amino)allylidene)-N-methylmethanaminium perchlorate
CID 12216196
[(Z)-2,3-bis(dimethylamino)prop-2-enylidene]-dimethylazanium chloride
CID 134893672
[(Z)-3-(dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium
CID 2724950
[(Z)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium
CID 12216197
N'-[1-(dimethylamino)prop-1-en-2-yl]-N,N-dimethylmethanimidamide
CID 57036492
C10H21ClN4O4
CID 57359126
[3-(Dimethylamino)-2-(dimethylazaniumylidenemethylamino)prop-2-enylidene]-dimethylazanium
CID 78291301
[[(Z)-1-(dimethylamino)-3-methyliminoprop-1-en-2-yl]amino]methylidene-dimethylazanium
CID 90850662
2-[[Tert-butyl-[(methylideneamino)methyl]amino]methylideneamino]prop-2-enylidene-dimethylazanium
CID 123198061

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium?
The IUPAC name of [(E)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium (CID 10803918) is [(E)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium.
What is the SMILES notation for [(E)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium?
The canonical SMILES for [(E)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium is CN(C)/C=N/C(C=[N+](C)C)=C/N(C)C.
What is the InChIKey of [(E)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium?
The InChIKey is DCNQDOWDZCAVDS-PKNBQFBNSA-N. 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/b11-9+.
What are the key properties of [(E)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium?
[(E)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium has a molecular weight of 197.31 g/mol, XLogP of 0.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium is sourced from PubChem (CID 10803918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).