[(E)-3-dimethylazaniumylideneprop-1-enyl]-trimethylazanium perchlorate

C8H18ClN2O4+ — CID 135051339

IUPAC[(E)-3-dimethylazaniumylideneprop-1-enyl]-trimethylazanium perchlorate
SMILESC[N+](C)=C/C=C/[N+](C)(C)C.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C8H18N2.ClHO4/c1-9(2)7-6-8-10(3,4)5;2-1(3,4)5/h6-8H,1-5H3;(H,2,3,4,5)/q+2;/p-1/b8-6+;
InChIKeyYXQUWTVBNUEJOA-WVLIHFOGSA-M
MW241.70 g/mol
LogP-4.21
Rot. Bonds2

About [(E)-3-dimethylazaniumylideneprop-1-enyl]-trimethylazanium perchlorate

[(E)-3-dimethylazaniumylideneprop-1-enyl]-trimethylazanium perchlorate (PubChem CID 135051339) has the molecular formula C8H18ClN2O4+ and a molecular weight of 241.70 g/mol. Its IUPAC name is [(E)-3-dimethylazaniumylideneprop-1-enyl]-trimethylazanium perchlorate.

Molecular Properties

Compound Name[(E)-3-dimethylazaniumylideneprop-1-enyl]-trimethylazanium perchlorate
PubChem CID135051339
Molecular FormulaC8H18ClN2O4+
Molecular Weight241.70 g/mol
Exact Mass241.09
IUPAC Name[(E)-3-dimethylazaniumylideneprop-1-enyl]-trimethylazanium perchlorate
SMILESC[N+](C)=C/C=C/[N+](C)(C)C.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C8H18N2.ClHO4/c1-9(2)7-6-8-10(3,4)5;2-1(3,4)5/h6-8H,1-5H3;(H,2,3,4,5)/q+2;/p-1/b8-6+;
InChIKeyYXQUWTVBNUEJOA-WVLIHFOGSA-M
XLogP-4.21
TPSA95.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 5-4.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-dimethylazaniumylideneprop-1-enyl]-trimethylazanium perchlorate?
The IUPAC name of [(E)-3-dimethylazaniumylideneprop-1-enyl]-trimethylazanium perchlorate (CID 135051339) is [(E)-3-dimethylazaniumylideneprop-1-enyl]-trimethylazanium perchlorate.
What is the SMILES notation for [(E)-3-dimethylazaniumylideneprop-1-enyl]-trimethylazanium perchlorate?
The canonical SMILES for [(E)-3-dimethylazaniumylideneprop-1-enyl]-trimethylazanium perchlorate is C[N+](C)=C/C=C/[N+](C)(C)C.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of [(E)-3-dimethylazaniumylideneprop-1-enyl]-trimethylazanium perchlorate?
The InChIKey is YXQUWTVBNUEJOA-WVLIHFOGSA-M. The full InChI is InChI=1S/C8H18N2.ClHO4/c1-9(2)7-6-8-10(3,4)5;2-1(3,4)5/h6-8H,1-5H3;(H,2,3,4,5)/q+2;/p-1/b8-6+;.
What are the key properties of [(E)-3-dimethylazaniumylideneprop-1-enyl]-trimethylazanium perchlorate?
[(E)-3-dimethylazaniumylideneprop-1-enyl]-trimethylazanium perchlorate has a molecular weight of 241.70 g/mol, XLogP of -4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-dimethylazaniumylideneprop-1-enyl]-trimethylazanium perchlorate is sourced from PubChem (CID 135051339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).