diethyl-methyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium

C11H22NO2+ — CID 22114748

IUPACdiethyl-methyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
SMILESC=C(C)C(=O)OC(C)[N+](C)(CC)CC
InChIInChI=1S/C11H22NO2/c1-7-12(6,8-2)10(5)14-11(13)9(3)4/h10H,3,7-8H2,1-2,4-6H3/q+1
InChIKeyHKQBQKWSZVVOBC-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.94
Rot. Bonds5

About diethyl-methyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium

diethyl-methyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium (PubChem CID 22114748) has the molecular formula C11H22NO2+ and a molecular weight of 200.30 g/mol. Its IUPAC name is diethyl-methyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium.

Molecular Properties

Compound Namediethyl-methyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
PubChem CID22114748
Molecular FormulaC11H22NO2+
Molecular Weight200.30 g/mol
Exact Mass200.16
IUPAC Namediethyl-methyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
SMILESC=C(C)C(=O)OC(C)[N+](C)(CC)CC
InChIInChI=1S/C11H22NO2/c1-7-12(6,8-2)10(5)14-11(13)9(3)4/h10H,3,7-8H2,1-2,4-6H3/q+1
InChIKeyHKQBQKWSZVVOBC-UHFFFAOYSA-N
XLogP1.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl-methyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium?
The IUPAC name of diethyl-methyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium (CID 22114748) is diethyl-methyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium.
What is the SMILES notation for diethyl-methyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium?
The canonical SMILES for diethyl-methyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium is C=C(C)C(=O)OC(C)[N+](C)(CC)CC.
What is the InChIKey of diethyl-methyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium?
The InChIKey is HKQBQKWSZVVOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22NO2/c1-7-12(6,8-2)10(5)14-11(13)9(3)4/h10H,3,7-8H2,1-2,4-6H3/q+1.
What are the key properties of diethyl-methyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium?
diethyl-methyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium has a molecular weight of 200.30 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-methyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium is sourced from PubChem (CID 22114748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).