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

C10H21ClN4O4 — CID 57359126

IUPAC[3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium perchlorate
SMILESCN(C)C=C(C=[N+](C)C)/N=C/N(C)C.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C10H21N4.ClHO4/c1-12(2)7-10(8-13(3)4)11-9-14(5)6;2-1(3,4)5/h7-9H,1-6H3;(H,2,3,4,5)/q+1;/p-1/b11-9+;
InChIKeyLOETWRXQTHIJFD-LBEJWNQZSA-M
MW296.76 g/mol
LogP-4.43
Rot. Bonds4

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

[3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium perchlorate (PubChem CID 57359126) has the molecular formula C10H21ClN4O4 and a molecular weight of 296.76 g/mol. Its IUPAC name is [3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium perchlorate.

Molecular Properties

Compound Name[3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium perchlorate
PubChem CID57359126
Molecular FormulaC10H21ClN4O4
Molecular Weight296.76 g/mol
Exact Mass296.13
IUPAC Name[3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium perchlorate
SMILESCN(C)C=C(C=[N+](C)C)/N=C/N(C)C.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C10H21N4.ClHO4/c1-12(2)7-10(8-13(3)4)11-9-14(5)6;2-1(3,4)5/h7-9H,1-6H3;(H,2,3,4,5)/q+1;/p-1/b11-9+;
InChIKeyLOETWRXQTHIJFD-LBEJWNQZSA-M
XLogP-4.43
TPSA114.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 5-4.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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
[3-(Dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium
CID 57359127
N-(3-(Dimethylamino)-2-(((dimethylamino)methylene)amino)allylidene)-N-methylmethanaminium perchlorate
CID 12216196
[(Z)-3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium
CID 12216197
[3-(Dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium;methane
CID 160669560
[(Z)-2,3-bis(dimethylamino)prop-2-enylidene]-dimethylazanium perchlorate
CID 134105156

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium perchlorate?
The IUPAC name of [3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium perchlorate (CID 57359126) is [3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium perchlorate.
What is the SMILES notation for [3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium perchlorate?
The canonical SMILES for [3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium perchlorate is CN(C)C=C(C=[N+](C)C)/N=C/N(C)C.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of [3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium perchlorate?
The InChIKey is LOETWRXQTHIJFD-LBEJWNQZSA-M. The full InChI is InChI=1S/C10H21N4.ClHO4/c1-12(2)7-10(8-13(3)4)11-9-14(5)6;2-1(3,4)5/h7-9H,1-6H3;(H,2,3,4,5)/q+1;/p-1/b11-9+;.
What are the key properties of [3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium perchlorate?
[3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium perchlorate has a molecular weight of 296.76 g/mol, XLogP of -4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-2-(dimethylaminomethylideneamino)prop-2-enylidene]-dimethylazanium perchlorate is sourced from PubChem (CID 57359126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).