tris(2-methoxyethyl)-prop-2-enylazanium

C12H26NO3+ — CID 118014784

IUPACtris(2-methoxyethyl)-prop-2-enylazanium
SMILESC=CC[N+](CCOC)(CCOC)CCOC
InChIInChI=1S/C12H26NO3/c1-5-6-13(7-10-14-2,8-11-15-3)9-12-16-4/h5H,1,6-12H2,2-4H3/q+1
InChIKeyYPFNJWAPIJHNKD-UHFFFAOYSA-N
MW232.34 g/mol
LogP0.93
Rot. Bonds11

About tris(2-methoxyethyl)-prop-2-enylazanium

tris(2-methoxyethyl)-prop-2-enylazanium (PubChem CID 118014784) has the molecular formula C12H26NO3+ and a molecular weight of 232.34 g/mol. Its IUPAC name is tris(2-methoxyethyl)-prop-2-enylazanium.

Molecular Properties

Compound Nametris(2-methoxyethyl)-prop-2-enylazanium
PubChem CID118014784
Molecular FormulaC12H26NO3+
Molecular Weight232.34 g/mol
Exact Mass232.19
IUPAC Nametris(2-methoxyethyl)-prop-2-enylazanium
SMILESC=CC[N+](CCOC)(CCOC)CCOC
InChIInChI=1S/C12H26NO3/c1-5-6-13(7-10-14-2,8-11-15-3)9-12-16-4/h5H,1,6-12H2,2-4H3/q+1
InChIKeyYPFNJWAPIJHNKD-UHFFFAOYSA-N
XLogP0.93
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sulfane;tetrakis(prop-2-enyl)azanium
CID 174809251
triethyl(2-methoxyethyl)azanium
CID 3026728
tris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium bromide
CID 54599335
tris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride
CID 139884686
tris(2-methoxyethyl)-(3-methoxypropyl)azanium
CID 71320742
tributyl(prop-2-enyl)azanium chloride
CID 3024222
tetrakis(prop-2-enyl)azanium chloride
CID 11264347
hydron;tetrakis(prop-2-enyl)azanium
CID 87913836
but-1-ene;tetrakis(prop-2-enyl)azanium
CID 174931498
tris(2-methoxyethyl)-(3-methoxypropyl)azanium iodide
CID 71320741
bis(2-hydroxyethyl)-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-methoxypropoxymethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxopropyl]-prop-2-enylazanium
CID 102147130
1,2-dimethoxyethane;tris(prop-1-ene)
CID 159658676

Frequently Asked Questions

What is the IUPAC name of tris(2-methoxyethyl)-prop-2-enylazanium?
The IUPAC name of tris(2-methoxyethyl)-prop-2-enylazanium (CID 118014784) is tris(2-methoxyethyl)-prop-2-enylazanium.
What is the SMILES notation for tris(2-methoxyethyl)-prop-2-enylazanium?
The canonical SMILES for tris(2-methoxyethyl)-prop-2-enylazanium is C=CC[N+](CCOC)(CCOC)CCOC.
What is the InChIKey of tris(2-methoxyethyl)-prop-2-enylazanium?
The InChIKey is YPFNJWAPIJHNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26NO3/c1-5-6-13(7-10-14-2,8-11-15-3)9-12-16-4/h5H,1,6-12H2,2-4H3/q+1.
What are the key properties of tris(2-methoxyethyl)-prop-2-enylazanium?
tris(2-methoxyethyl)-prop-2-enylazanium has a molecular weight of 232.34 g/mol, XLogP of 0.93, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methoxyethyl)-prop-2-enylazanium is sourced from PubChem (CID 118014784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).