[(Z)-3-(dimethylamino)-2-propoxyprop-2-enylidene]-dimethylazanium iodide

C10H21IN2O — CID 3036458

IUPAC[(Z)-3-(dimethylamino)-2-propoxyprop-2-enylidene]-dimethylazanium iodide
SMILESCCCO/C(C=[N+](C)C)=C\N(C)C.[I-]
InChIInChI=1S/C10H21N2O.HI/c1-6-7-13-10(8-11(2)3)9-12(4)5;/h8-9H,6-7H2,1-5H3;1H/q+1;/p-1
InChIKeyOGYWYALDKOHKMN-UHFFFAOYSA-M
MW312.20 g/mol
LogP-1.84
Rot. Bonds5

About [(Z)-3-(dimethylamino)-2-propoxyprop-2-enylidene]-dimethylazanium iodide

[(Z)-3-(dimethylamino)-2-propoxyprop-2-enylidene]-dimethylazanium iodide (PubChem CID 3036458) has the molecular formula C10H21IN2O and a molecular weight of 312.20 g/mol. Its IUPAC name is [(Z)-3-(dimethylamino)-2-propoxyprop-2-enylidene]-dimethylazanium iodide.

Molecular Properties

Compound Name[(Z)-3-(dimethylamino)-2-propoxyprop-2-enylidene]-dimethylazanium iodide
PubChem CID3036458
Molecular FormulaC10H21IN2O
Molecular Weight312.20 g/mol
Exact Mass312.07
IUPAC Name[(Z)-3-(dimethylamino)-2-propoxyprop-2-enylidene]-dimethylazanium iodide
SMILESCCCO/C(C=[N+](C)C)=C\N(C)C.[I-]
InChIInChI=1S/C10H21N2O.HI/c1-6-7-13-10(8-11(2)3)9-12(4)5;/h8-9H,6-7H2,1-5H3;1H/q+1;/p-1
InChIKeyOGYWYALDKOHKMN-UHFFFAOYSA-M
XLogP-1.84
TPSA15.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 5-1.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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)-3-(dimethylamino)-2-propoxyprop-2-enylidene]-dimethylazanium iodide?
The IUPAC name of [(Z)-3-(dimethylamino)-2-propoxyprop-2-enylidene]-dimethylazanium iodide (CID 3036458) is [(Z)-3-(dimethylamino)-2-propoxyprop-2-enylidene]-dimethylazanium iodide.
What is the SMILES notation for [(Z)-3-(dimethylamino)-2-propoxyprop-2-enylidene]-dimethylazanium iodide?
The canonical SMILES for [(Z)-3-(dimethylamino)-2-propoxyprop-2-enylidene]-dimethylazanium iodide is CCCO/C(C=[N+](C)C)=C\N(C)C.[I-].
What is the InChIKey of [(Z)-3-(dimethylamino)-2-propoxyprop-2-enylidene]-dimethylazanium iodide?
The InChIKey is OGYWYALDKOHKMN-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H21N2O.HI/c1-6-7-13-10(8-11(2)3)9-12(4)5;/h8-9H,6-7H2,1-5H3;1H/q+1;/p-1.
What are the key properties of [(Z)-3-(dimethylamino)-2-propoxyprop-2-enylidene]-dimethylazanium iodide?
[(Z)-3-(dimethylamino)-2-propoxyprop-2-enylidene]-dimethylazanium iodide has a molecular weight of 312.20 g/mol, XLogP of -1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-(dimethylamino)-2-propoxyprop-2-enylidene]-dimethylazanium iodide is sourced from PubChem (CID 3036458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).