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

C11H25N4+ — CID 160669560

IUPAC[3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium;methane
SMILESC.CN(C)C=C(C=[N+](C)C)/N=C/N(C)C
InChIInChI=1S/C10H21N4.CH4/c1-12(2)7-10(8-13(3)4)11-9-14(5)6;/h7-9H,1-6H3;1H4/q+1;/b11-9+;
InChIKeyRMTDJOPIYTZUJL-LBEJWNQZSA-N
MW213.35 g/mol
LogP0.96
Rot. Bonds4

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

[3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium;methane (PubChem CID 160669560) has the molecular formula C11H25N4+ and a molecular weight of 213.35 g/mol. Its IUPAC name is [3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium;methane.

Molecular Properties

Compound Name[3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium;methane
PubChem CID160669560
Molecular FormulaC11H25N4+
Molecular Weight213.35 g/mol
Exact Mass213.21
IUPAC Name[3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium;methane
SMILESC.CN(C)C=C(C=[N+](C)C)/N=C/N(C)C
InChIInChI=1S/C10H21N4.CH4/c1-12(2)7-10(8-13(3)4)11-9-14(5)6;/h7-9H,1-6H3;1H4/q+1;/b11-9+;
InChIKeyRMTDJOPIYTZUJL-LBEJWNQZSA-N
XLogP0.96
TPSA21.85 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 50.96
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
[(E)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium
CID 10803918
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

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium;methane?
The IUPAC name of [3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium;methane (CID 160669560) is [3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium;methane.
What is the SMILES notation for [3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium;methane?
The canonical SMILES for [3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium;methane is C.CN(C)C=C(C=[N+](C)C)/N=C/N(C)C.
What is the InChIKey of [3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium;methane?
The InChIKey is RMTDJOPIYTZUJL-LBEJWNQZSA-N. The full InChI is InChI=1S/C10H21N4.CH4/c1-12(2)7-10(8-13(3)4)11-9-14(5)6;/h7-9H,1-6H3;1H4/q+1;/b11-9+;.
What are the key properties of [3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium;methane?
[3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium;methane has a molecular weight of 213.35 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium;methane is sourced from PubChem (CID 160669560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).