bis(ethoxymethyl)-bis(prop-2-enyl)azanium

C12H24NO2+ — CID 21284601

IUPACbis(ethoxymethyl)-bis(prop-2-enyl)azanium
SMILESC=CC[N+](CC=C)(COCC)COCC
InChIInChI=1S/C12H24NO2/c1-5-9-13(10-6-2,11-14-7-3)12-15-8-4/h5-6H,1-2,7-12H2,3-4H3/q+1
InChIKeyHRIHTZXMABLVMI-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.16
Rot. Bonds10

About bis(ethoxymethyl)-bis(prop-2-enyl)azanium

bis(ethoxymethyl)-bis(prop-2-enyl)azanium (PubChem CID 21284601) has the molecular formula C12H24NO2+ and a molecular weight of 214.33 g/mol. Its IUPAC name is bis(ethoxymethyl)-bis(prop-2-enyl)azanium.

Molecular Properties

Compound Namebis(ethoxymethyl)-bis(prop-2-enyl)azanium
PubChem CID21284601
Molecular FormulaC12H24NO2+
Molecular Weight214.33 g/mol
Exact Mass214.18
IUPAC Namebis(ethoxymethyl)-bis(prop-2-enyl)azanium
SMILESC=CC[N+](CC=C)(COCC)COCC
InChIInChI=1S/C12H24NO2/c1-5-9-13(10-6-2,11-14-7-3)12-15-8-4/h5-6H,1-2,7-12H2,3-4H3/q+1
InChIKeyHRIHTZXMABLVMI-UHFFFAOYSA-N
XLogP2.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze bis(ethoxymethyl)-bis(prop-2-enyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(ethoxymethyl)-bis(prop-2-enyl)azanium?
The IUPAC name of bis(ethoxymethyl)-bis(prop-2-enyl)azanium (CID 21284601) is bis(ethoxymethyl)-bis(prop-2-enyl)azanium.
What is the SMILES notation for bis(ethoxymethyl)-bis(prop-2-enyl)azanium?
The canonical SMILES for bis(ethoxymethyl)-bis(prop-2-enyl)azanium is C=CC[N+](CC=C)(COCC)COCC.
What is the InChIKey of bis(ethoxymethyl)-bis(prop-2-enyl)azanium?
The InChIKey is HRIHTZXMABLVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24NO2/c1-5-9-13(10-6-2,11-14-7-3)12-15-8-4/h5-6H,1-2,7-12H2,3-4H3/q+1.
What are the key properties of bis(ethoxymethyl)-bis(prop-2-enyl)azanium?
bis(ethoxymethyl)-bis(prop-2-enyl)azanium has a molecular weight of 214.33 g/mol, XLogP of 2.16, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethoxymethyl)-bis(prop-2-enyl)azanium is sourced from PubChem (CID 21284601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).