[(Z)-2-butoxy-3-(dimethylamino)prop-2-enylidene]-dimethylazanium

C11H23N2O+ — CID 3035729

IUPAC[(Z)-2-butoxy-3-(dimethylamino)prop-2-enylidene]-dimethylazanium
SMILESCCCCO/C(C=[N+](C)C)=C\N(C)C
InChIInChI=1S/C11H23N2O/c1-6-7-8-14-11(9-12(2)3)10-13(4)5/h9-10H,6-8H2,1-5H3/q+1
InChIKeyHZGQVBNAYNHMPZ-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.55
Rot. Bonds6

About [(Z)-2-butoxy-3-(dimethylamino)prop-2-enylidene]-dimethylazanium

[(Z)-2-butoxy-3-(dimethylamino)prop-2-enylidene]-dimethylazanium (PubChem CID 3035729) has the molecular formula C11H23N2O+ and a molecular weight of 199.32 g/mol. Its IUPAC name is [(Z)-2-butoxy-3-(dimethylamino)prop-2-enylidene]-dimethylazanium.

Molecular Properties

Compound Name[(Z)-2-butoxy-3-(dimethylamino)prop-2-enylidene]-dimethylazanium
PubChem CID3035729
Molecular FormulaC11H23N2O+
Molecular Weight199.32 g/mol
Exact Mass199.18
IUPAC Name[(Z)-2-butoxy-3-(dimethylamino)prop-2-enylidene]-dimethylazanium
SMILESCCCCO/C(C=[N+](C)C)=C\N(C)C
InChIInChI=1S/C11H23N2O/c1-6-7-8-14-11(9-12(2)3)10-13(4)5/h9-10H,6-8H2,1-5H3/q+1
InChIKeyHZGQVBNAYNHMPZ-UHFFFAOYSA-N
XLogP1.55
TPSA15.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 [(Z)-2-butoxy-3-(dimethylamino)prop-2-enylidene]-dimethylazanium?
The IUPAC name of [(Z)-2-butoxy-3-(dimethylamino)prop-2-enylidene]-dimethylazanium (CID 3035729) is [(Z)-2-butoxy-3-(dimethylamino)prop-2-enylidene]-dimethylazanium.
What is the SMILES notation for [(Z)-2-butoxy-3-(dimethylamino)prop-2-enylidene]-dimethylazanium?
The canonical SMILES for [(Z)-2-butoxy-3-(dimethylamino)prop-2-enylidene]-dimethylazanium is CCCCO/C(C=[N+](C)C)=C\N(C)C.
What is the InChIKey of [(Z)-2-butoxy-3-(dimethylamino)prop-2-enylidene]-dimethylazanium?
The InChIKey is HZGQVBNAYNHMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N2O/c1-6-7-8-14-11(9-12(2)3)10-13(4)5/h9-10H,6-8H2,1-5H3/q+1.
What are the key properties of [(Z)-2-butoxy-3-(dimethylamino)prop-2-enylidene]-dimethylazanium?
[(Z)-2-butoxy-3-(dimethylamino)prop-2-enylidene]-dimethylazanium has a molecular weight of 199.32 g/mol, XLogP of 1.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-butoxy-3-(dimethylamino)prop-2-enylidene]-dimethylazanium is sourced from PubChem (CID 3035729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).