triethyl(prop-2-enoxymethyl)azanium

C10H22NO+ — CID 3026347

IUPACtriethyl(prop-2-enoxymethyl)azanium
SMILESC=CCOC[N+](CC)(CC)CC
InChIInChI=1S/C10H22NO/c1-5-9-12-10-11(6-2,7-3)8-4/h5H,1,6-10H2,2-4H3/q+1
InChIKeyFITTYCDWGWAOST-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.02
Rot. Bonds7

About triethyl(prop-2-enoxymethyl)azanium

triethyl(prop-2-enoxymethyl)azanium (PubChem CID 3026347) has the molecular formula C10H22NO+ and a molecular weight of 172.29 g/mol. Its IUPAC name is triethyl(prop-2-enoxymethyl)azanium.

Molecular Properties

Compound Nametriethyl(prop-2-enoxymethyl)azanium
PubChem CID3026347
Molecular FormulaC10H22NO+
Molecular Weight172.29 g/mol
Exact Mass172.17
IUPAC Nametriethyl(prop-2-enoxymethyl)azanium
SMILESC=CCOC[N+](CC)(CC)CC
InChIInChI=1S/C10H22NO/c1-5-9-12-10-11(6-2,7-3)8-4/h5H,1,6-10H2,2-4H3/q+1
InChIKeyFITTYCDWGWAOST-UHFFFAOYSA-N
XLogP2.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trimethyl(prop-2-enoxymethyl)azanium iodide
CID 3026348
bis(ethoxymethyl)-bis(prop-2-enyl)azanium chloride
CID 21284600
prop-1-ene;tetraethylazanium
CID 159504263
ethenamine;3-prop-2-enoxyprop-1-ene
CID 174942640
tris(prop-1-ene);3-prop-2-enoxyprop-1-ene
CID 175414947
Potassium allyloxide
CID 87828396
methane;1-prop-2-enoxypropane
CID 157267338
azane;1-prop-2-enoxypropane
CID 87450499
propan-1-amine;3-prop-2-enoxyprop-1-ene
CID 88606342
azane;3-prop-2-enoxyprop-1-ene;hydrochloride
CID 173111955
prop-1-ene;triethyl(prop-2-enyl)azanium;bromide
CID 175521328
propane-1,1,1-triol;3-prop-2-enoxyprop-1-ene
CID 175245535

Frequently Asked Questions

What is the IUPAC name of triethyl(prop-2-enoxymethyl)azanium?
The IUPAC name of triethyl(prop-2-enoxymethyl)azanium (CID 3026347) is triethyl(prop-2-enoxymethyl)azanium.
What is the SMILES notation for triethyl(prop-2-enoxymethyl)azanium?
The canonical SMILES for triethyl(prop-2-enoxymethyl)azanium is C=CCOC[N+](CC)(CC)CC.
What is the InChIKey of triethyl(prop-2-enoxymethyl)azanium?
The InChIKey is FITTYCDWGWAOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NO/c1-5-9-12-10-11(6-2,7-3)8-4/h5H,1,6-10H2,2-4H3/q+1.
What are the key properties of triethyl(prop-2-enoxymethyl)azanium?
triethyl(prop-2-enoxymethyl)azanium has a molecular weight of 172.29 g/mol, XLogP of 2.02, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(prop-2-enoxymethyl)azanium is sourced from PubChem (CID 3026347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).