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

C9H20ClN3O4 — CID 134105156

IUPAC[(Z)-2,3-bis(dimethylamino)prop-2-enylidene]-dimethylazanium perchlorate
SMILESCN(C)/C=C(/C=[N+](C)C)N(C)C.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C9H20N3.ClHO4/c1-10(2)7-9(12(5)6)8-11(3)4;2-1(3,4)5/h7-8H,1-6H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyCSAZFSXWSPRINE-UHFFFAOYSA-M
MW269.73 g/mol
LogP-4.46
Rot. Bonds3

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

[(Z)-2,3-bis(dimethylamino)prop-2-enylidene]-dimethylazanium perchlorate (PubChem CID 134105156) has the molecular formula C9H20ClN3O4 and a molecular weight of 269.73 g/mol. Its IUPAC name is [(Z)-2,3-bis(dimethylamino)prop-2-enylidene]-dimethylazanium perchlorate.

Molecular Properties

Compound Name[(Z)-2,3-bis(dimethylamino)prop-2-enylidene]-dimethylazanium perchlorate
PubChem CID134105156
Molecular FormulaC9H20ClN3O4
Molecular Weight269.73 g/mol
Exact Mass269.11
IUPAC Name[(Z)-2,3-bis(dimethylamino)prop-2-enylidene]-dimethylazanium perchlorate
SMILESCN(C)/C=C(/C=[N+](C)C)N(C)C.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C9H20N3.ClHO4/c1-10(2)7-9(12(5)6)8-11(3)4;2-1(3,4)5/h7-8H,1-6H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyCSAZFSXWSPRINE-UHFFFAOYSA-M
XLogP-4.46
TPSA101.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 5-4.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-2,3-bis(dimethylamino)prop-2-enylidene]-dimethylazanium perchlorate?
The IUPAC name of [(Z)-2,3-bis(dimethylamino)prop-2-enylidene]-dimethylazanium perchlorate (CID 134105156) is [(Z)-2,3-bis(dimethylamino)prop-2-enylidene]-dimethylazanium perchlorate.
What is the SMILES notation for [(Z)-2,3-bis(dimethylamino)prop-2-enylidene]-dimethylazanium perchlorate?
The canonical SMILES for [(Z)-2,3-bis(dimethylamino)prop-2-enylidene]-dimethylazanium perchlorate is CN(C)/C=C(/C=[N+](C)C)N(C)C.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of [(Z)-2,3-bis(dimethylamino)prop-2-enylidene]-dimethylazanium perchlorate?
The InChIKey is CSAZFSXWSPRINE-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H20N3.ClHO4/c1-10(2)7-9(12(5)6)8-11(3)4;2-1(3,4)5/h7-8H,1-6H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of [(Z)-2,3-bis(dimethylamino)prop-2-enylidene]-dimethylazanium perchlorate?
[(Z)-2,3-bis(dimethylamino)prop-2-enylidene]-dimethylazanium perchlorate has a molecular weight of 269.73 g/mol, XLogP of -4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2,3-bis(dimethylamino)prop-2-enylidene]-dimethylazanium perchlorate is sourced from PubChem (CID 134105156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).