triethyl(2-morpholin-4-ylprop-2-enyl)azanium

C13H27N2O+ — CID 58609039

IUPACtriethyl(2-morpholin-4-ylprop-2-enyl)azanium
SMILESC=C(C[N+](CC)(CC)CC)N1CCOCC1
InChIInChI=1S/C13H27N2O/c1-5-15(6-2,7-3)12-13(4)14-8-10-16-11-9-14/h4-12H2,1-3H3/q+1
InChIKeyCNCJXZSDOFVAAO-UHFFFAOYSA-N
MW227.37 g/mol
LogP1.71
Rot. Bonds6

About triethyl(2-morpholin-4-ylprop-2-enyl)azanium

triethyl(2-morpholin-4-ylprop-2-enyl)azanium (PubChem CID 58609039) has the molecular formula C13H27N2O+ and a molecular weight of 227.37 g/mol. Its IUPAC name is triethyl(2-morpholin-4-ylprop-2-enyl)azanium.

Molecular Properties

Compound Nametriethyl(2-morpholin-4-ylprop-2-enyl)azanium
PubChem CID58609039
Molecular FormulaC13H27N2O+
Molecular Weight227.37 g/mol
Exact Mass227.21
IUPAC Nametriethyl(2-morpholin-4-ylprop-2-enyl)azanium
SMILESC=C(C[N+](CC)(CC)CC)N1CCOCC1
InChIInChI=1S/C13H27N2O/c1-5-15(6-2,7-3)12-13(4)14-8-10-16-11-9-14/h4-12H2,1-3H3/q+1
InChIKeyCNCJXZSDOFVAAO-UHFFFAOYSA-N
XLogP1.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethyl(2-morpholin-4-ylprop-2-enyl)azanium?
The IUPAC name of triethyl(2-morpholin-4-ylprop-2-enyl)azanium (CID 58609039) is triethyl(2-morpholin-4-ylprop-2-enyl)azanium.
What is the SMILES notation for triethyl(2-morpholin-4-ylprop-2-enyl)azanium?
The canonical SMILES for triethyl(2-morpholin-4-ylprop-2-enyl)azanium is C=C(C[N+](CC)(CC)CC)N1CCOCC1.
What is the InChIKey of triethyl(2-morpholin-4-ylprop-2-enyl)azanium?
The InChIKey is CNCJXZSDOFVAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N2O/c1-5-15(6-2,7-3)12-13(4)14-8-10-16-11-9-14/h4-12H2,1-3H3/q+1.
What are the key properties of triethyl(2-morpholin-4-ylprop-2-enyl)azanium?
triethyl(2-morpholin-4-ylprop-2-enyl)azanium has a molecular weight of 227.37 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(2-morpholin-4-ylprop-2-enyl)azanium is sourced from PubChem (CID 58609039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).