[(E)-3-(dimethylamino)-2-propoxyprop-2-enylidene]-dimethylazanium

C10H21N2O+ — CID 6336337

IUPAC[(E)-3-(dimethylamino)-2-propoxyprop-2-enylidene]-dimethylazanium
SMILESCCCO/C(C=[N+](C)C)=C/N(C)C
InChIInChI=1S/C10H21N2O/c1-6-7-13-10(8-11(2)3)9-12(4)5/h8-9H,6-7H2,1-5H3/q+1
InChIKeyZAHXYMZLOIUULI-UHFFFAOYSA-N
MW185.29 g/mol
LogP1.16
Rot. Bonds5

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

[(E)-3-(dimethylamino)-2-propoxyprop-2-enylidene]-dimethylazanium (PubChem CID 6336337) has the molecular formula C10H21N2O+ and a molecular weight of 185.29 g/mol. Its IUPAC name is [(E)-3-(dimethylamino)-2-propoxyprop-2-enylidene]-dimethylazanium.

Molecular Properties

Compound Name[(E)-3-(dimethylamino)-2-propoxyprop-2-enylidene]-dimethylazanium
PubChem CID6336337
Molecular FormulaC10H21N2O+
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name[(E)-3-(dimethylamino)-2-propoxyprop-2-enylidene]-dimethylazanium
SMILESCCCO/C(C=[N+](C)C)=C/N(C)C
InChIInChI=1S/C10H21N2O/c1-6-7-13-10(8-11(2)3)9-12(4)5/h8-9H,6-7H2,1-5H3/q+1
InChIKeyZAHXYMZLOIUULI-UHFFFAOYSA-N
XLogP1.16
TPSA15.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.16
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': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-(dimethylamino)-2-propoxyprop-2-enylidene]-dimethylazanium?
The IUPAC name of [(E)-3-(dimethylamino)-2-propoxyprop-2-enylidene]-dimethylazanium (CID 6336337) is [(E)-3-(dimethylamino)-2-propoxyprop-2-enylidene]-dimethylazanium.
What is the SMILES notation for [(E)-3-(dimethylamino)-2-propoxyprop-2-enylidene]-dimethylazanium?
The canonical SMILES for [(E)-3-(dimethylamino)-2-propoxyprop-2-enylidene]-dimethylazanium is CCCO/C(C=[N+](C)C)=C/N(C)C.
What is the InChIKey of [(E)-3-(dimethylamino)-2-propoxyprop-2-enylidene]-dimethylazanium?
The InChIKey is ZAHXYMZLOIUULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N2O/c1-6-7-13-10(8-11(2)3)9-12(4)5/h8-9H,6-7H2,1-5H3/q+1.
What are the key properties of [(E)-3-(dimethylamino)-2-propoxyprop-2-enylidene]-dimethylazanium?
[(E)-3-(dimethylamino)-2-propoxyprop-2-enylidene]-dimethylazanium has a molecular weight of 185.29 g/mol, XLogP of 1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(dimethylamino)-2-propoxyprop-2-enylidene]-dimethylazanium is sourced from PubChem (CID 6336337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).