triethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium

C12H26NO+ — CID 87191571

IUPACtriethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium
SMILESC=C(C)COC(C)[N+](CC)(CC)CC
InChIInChI=1S/C12H26NO/c1-7-13(8-2,9-3)12(6)14-10-11(4)5/h12H,4,7-10H2,1-3,5-6H3/q+1
InChIKeyLSLXFUMMQAEOTG-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.80
Rot. Bonds7

About triethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium

triethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium (PubChem CID 87191571) has the molecular formula C12H26NO+ and a molecular weight of 200.35 g/mol. Its IUPAC name is triethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium.

Molecular Properties

Compound Nametriethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium
PubChem CID87191571
Molecular FormulaC12H26NO+
Molecular Weight200.35 g/mol
Exact Mass200.20
IUPAC Nametriethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium
SMILESC=C(C)COC(C)[N+](CC)(CC)CC
InChIInChI=1S/C12H26NO/c1-7-13(8-2,9-3)12(6)14-10-11(4)5/h12H,4,7-10H2,1-3,5-6H3/q+1
InChIKeyLSLXFUMMQAEOTG-UHFFFAOYSA-N
XLogP2.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

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Frequently Asked Questions

What is the IUPAC name of triethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium?
The IUPAC name of triethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium (CID 87191571) is triethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium.
What is the SMILES notation for triethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium?
The canonical SMILES for triethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium is C=C(C)COC(C)[N+](CC)(CC)CC.
What is the InChIKey of triethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium?
The InChIKey is LSLXFUMMQAEOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26NO/c1-7-13(8-2,9-3)12(6)14-10-11(4)5/h12H,4,7-10H2,1-3,5-6H3/q+1.
What are the key properties of triethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium?
triethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium has a molecular weight of 200.35 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[1-(2-methylprop-2-enoxy)ethyl]azanium is sourced from PubChem (CID 87191571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).