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

C14H28NO2+ — CID 18352139

IUPACbis(2-ethoxyethyl)-bis(prop-2-enyl)azanium
SMILESC=CC[N+](CC=C)(CCOCC)CCOCC
InChIInChI=1S/C14H28NO2/c1-5-9-15(10-6-2,11-13-16-7-3)12-14-17-8-4/h5-6H,1-2,7-14H2,3-4H3/q+1
InChIKeyZSODZROGPWKGMN-UHFFFAOYSA-N
MW242.38 g/mol
LogP2.25
Rot. Bonds12

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

bis(2-ethoxyethyl)-bis(prop-2-enyl)azanium (PubChem CID 18352139) has the molecular formula C14H28NO2+ and a molecular weight of 242.38 g/mol. Its IUPAC name is bis(2-ethoxyethyl)-bis(prop-2-enyl)azanium.

Molecular Properties

Compound Namebis(2-ethoxyethyl)-bis(prop-2-enyl)azanium
PubChem CID18352139
Molecular FormulaC14H28NO2+
Molecular Weight242.38 g/mol
Exact Mass242.21
IUPAC Namebis(2-ethoxyethyl)-bis(prop-2-enyl)azanium
SMILESC=CC[N+](CC=C)(CCOCC)CCOCC
InChIInChI=1S/C14H28NO2/c1-5-9-15(10-6-2,11-13-16-7-3)12-14-17-8-4/h5-6H,1-2,7-14H2,3-4H3/q+1
InChIKeyZSODZROGPWKGMN-UHFFFAOYSA-N
XLogP2.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

CID 11831774
CID 11831774
CID 261282
CID 261282
CID 3143098
CID 3143098
CID 18617911
CID 18617911
CID 46901
CID 46901
CID 10909666
CID 10909666
CID 11768672
CID 11768672
CID 12458294
CID 12458294
CID 12977404
CID 12977404
CID 17986150
CID 17986150
CID 18617910
CID 18617910
CID 54273278
CID 54273278

Frequently Asked Questions

What is the IUPAC name of bis(2-ethoxyethyl)-bis(prop-2-enyl)azanium?
The IUPAC name of bis(2-ethoxyethyl)-bis(prop-2-enyl)azanium (CID 18352139) is bis(2-ethoxyethyl)-bis(prop-2-enyl)azanium.
What is the SMILES notation for bis(2-ethoxyethyl)-bis(prop-2-enyl)azanium?
The canonical SMILES for bis(2-ethoxyethyl)-bis(prop-2-enyl)azanium is C=CC[N+](CC=C)(CCOCC)CCOCC.
What is the InChIKey of bis(2-ethoxyethyl)-bis(prop-2-enyl)azanium?
The InChIKey is ZSODZROGPWKGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28NO2/c1-5-9-15(10-6-2,11-13-16-7-3)12-14-17-8-4/h5-6H,1-2,7-14H2,3-4H3/q+1.
What are the key properties of bis(2-ethoxyethyl)-bis(prop-2-enyl)azanium?
bis(2-ethoxyethyl)-bis(prop-2-enyl)azanium has a molecular weight of 242.38 g/mol, XLogP of 2.25, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethoxyethyl)-bis(prop-2-enyl)azanium is sourced from PubChem (CID 18352139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).