3-(diethylamino)prop-2-enylidene-diethylazanium

C11H23N2+ — CID 58911991

IUPAC3-(diethylamino)prop-2-enylidene-diethylazanium
SMILESCCN(C=CC=[N+](CC)CC)CC
InChIInChI=1S/C11H23N2/c1-5-12(6-2)10-9-11-13(7-3)8-4/h9-11H,5-8H2,1-4H3/q+1
InChIKeyKIYVUFNTKWWKJN-UHFFFAOYSA-N
MW183.32 g/mol
LogP1.97
Rot. Bonds6

About 3-(diethylamino)prop-2-enylidene-diethylazanium

3-(diethylamino)prop-2-enylidene-diethylazanium (PubChem CID 58911991) has the molecular formula C11H23N2+ and a molecular weight of 183.32 g/mol. Its IUPAC name is 3-(diethylamino)prop-2-enylidene-diethylazanium.

Molecular Properties

Compound Name3-(diethylamino)prop-2-enylidene-diethylazanium
PubChem CID58911991
Molecular FormulaC11H23N2+
Molecular Weight183.32 g/mol
Exact Mass183.19
IUPAC Name3-(diethylamino)prop-2-enylidene-diethylazanium
SMILESCCN(C=CC=[N+](CC)CC)CC
InChIInChI=1S/C11H23N2/c1-5-12(6-2)10-9-11-13(7-3)8-4/h9-11H,5-8H2,1-4H3/q+1
InChIKeyKIYVUFNTKWWKJN-UHFFFAOYSA-N
XLogP1.97
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 3-(diethylamino)prop-2-enylidene-diethylazanium?
The IUPAC name of 3-(diethylamino)prop-2-enylidene-diethylazanium (CID 58911991) is 3-(diethylamino)prop-2-enylidene-diethylazanium.
What is the SMILES notation for 3-(diethylamino)prop-2-enylidene-diethylazanium?
The canonical SMILES for 3-(diethylamino)prop-2-enylidene-diethylazanium is CCN(C=CC=[N+](CC)CC)CC.
What is the InChIKey of 3-(diethylamino)prop-2-enylidene-diethylazanium?
The InChIKey is KIYVUFNTKWWKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N2/c1-5-12(6-2)10-9-11-13(7-3)8-4/h9-11H,5-8H2,1-4H3/q+1.
What are the key properties of 3-(diethylamino)prop-2-enylidene-diethylazanium?
3-(diethylamino)prop-2-enylidene-diethylazanium has a molecular weight of 183.32 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)prop-2-enylidene-diethylazanium is sourced from PubChem (CID 58911991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).