[dimethylamino(ethoxy)methylidene]-dimethylazanium iodide

C7H17IN2O — CID 87764274

IUPAC[dimethylamino(ethoxy)methylidene]-dimethylazanium iodide
SMILESCCOC(N(C)C)=[N+](C)C.[I-]
InChIInChI=1S/C7H17N2O.HI/c1-6-10-7(8(2)3)9(4)5;/h6H2,1-5H3;1H/q+1;/p-1
InChIKeyPDNKUJFQNODBQJ-UHFFFAOYSA-M
MW272.13 g/mol
LogP-2.78
Rot. Bonds1

About [dimethylamino(ethoxy)methylidene]-dimethylazanium iodide

[dimethylamino(ethoxy)methylidene]-dimethylazanium iodide (PubChem CID 87764274) has the molecular formula C7H17IN2O and a molecular weight of 272.13 g/mol. Its IUPAC name is [dimethylamino(ethoxy)methylidene]-dimethylazanium iodide.

Molecular Properties

Compound Name[dimethylamino(ethoxy)methylidene]-dimethylazanium iodide
PubChem CID87764274
Molecular FormulaC7H17IN2O
Molecular Weight272.13 g/mol
Exact Mass272.04
IUPAC Name[dimethylamino(ethoxy)methylidene]-dimethylazanium iodide
SMILESCCOC(N(C)C)=[N+](C)C.[I-]
InChIInChI=1S/C7H17N2O.HI/c1-6-10-7(8(2)3)9(4)5;/h6H2,1-5H3;1H/q+1;/p-1
InChIKeyPDNKUJFQNODBQJ-UHFFFAOYSA-M
XLogP-2.78
TPSA15.48 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 5-2.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[dimethylamino(propanoyloxy)methylidene]-dimethylazanium
CID 88878426
[[(2-cyanato-2-ethoxyethenylidene)amino]oxy-(dimethylamino)methylidene]-dimethylazanium
CID 87886931
[4-(dimethylamino)-1-ethoxy-4-oxobutylidene]-dimethylazanium
CID 134897890
[4-(dimethylamino)-1-ethoxy-4-oxobutylidene]-dimethylazanium tetrafluoroborate
CID 134897889
[dimethylamino(propylsulfanyl)methylidene]-dimethylazanium iodide
CID 87471269
diethyl carbonate;N,N-dimethylmethanamine
CID 88502244
dimethylcarbamoyl ethyl carbonate
CID 139667668
[dimethylamino(propylsulfanyl)methylidene]-dimethylazanium
CID 59855519
ethyl N,N-dimethyl-N'-nitrocarbamimidate
CID 87633154
octakis([[(cyanomethylamino)methyl-methylamino]-ethoxycarbonyloxymethylidene]-dimethylazanium);tetrakis(fluoro(dioxido)borane)
CID 173309468
ethyl (NZ,1E)-N-(1-ethoxyethylidene)ethanehydrazonate
CID 13199093
N,N-dimethyl-1-propoxyethenamine
CID 142050908

Frequently Asked Questions

What is the IUPAC name of [dimethylamino(ethoxy)methylidene]-dimethylazanium iodide?
The IUPAC name of [dimethylamino(ethoxy)methylidene]-dimethylazanium iodide (CID 87764274) is [dimethylamino(ethoxy)methylidene]-dimethylazanium iodide.
What is the SMILES notation for [dimethylamino(ethoxy)methylidene]-dimethylazanium iodide?
The canonical SMILES for [dimethylamino(ethoxy)methylidene]-dimethylazanium iodide is CCOC(N(C)C)=[N+](C)C.[I-].
What is the InChIKey of [dimethylamino(ethoxy)methylidene]-dimethylazanium iodide?
The InChIKey is PDNKUJFQNODBQJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H17N2O.HI/c1-6-10-7(8(2)3)9(4)5;/h6H2,1-5H3;1H/q+1;/p-1.
What are the key properties of [dimethylamino(ethoxy)methylidene]-dimethylazanium iodide?
[dimethylamino(ethoxy)methylidene]-dimethylazanium iodide has a molecular weight of 272.13 g/mol, XLogP of -2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylamino(ethoxy)methylidene]-dimethylazanium iodide is sourced from PubChem (CID 87764274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).