dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-propylazanium

C11H22NO2+ — CID 15691061

IUPACdimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-propylazanium
SMILESC=C(C)C(=O)OCC[N+](C)(C)CCC
InChIInChI=1S/C11H22NO2/c1-6-7-12(4,5)8-9-14-11(13)10(2)3/h2,6-9H2,1,3-5H3/q+1
InChIKeyILMIZWJXXFAAIC-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.59
Rot. Bonds6

About dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-propylazanium

dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-propylazanium (PubChem CID 15691061) has the molecular formula C11H22NO2+ and a molecular weight of 200.30 g/mol. Its IUPAC name is dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-propylazanium.

Molecular Properties

Compound Namedimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-propylazanium
PubChem CID15691061
Molecular FormulaC11H22NO2+
Molecular Weight200.30 g/mol
Exact Mass200.16
IUPAC Namedimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-propylazanium
SMILESC=C(C)C(=O)OCC[N+](C)(C)CCC
InChIInChI=1S/C11H22NO2/c1-6-7-12(4,5)8-9-14-11(13)10(2)3/h2,6-9H2,1,3-5H3/q+1
InChIKeyILMIZWJXXFAAIC-UHFFFAOYSA-N
XLogP1.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-propylazanium?
The IUPAC name of dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-propylazanium (CID 15691061) is dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-propylazanium.
What is the SMILES notation for dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-propylazanium?
The canonical SMILES for dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-propylazanium is C=C(C)C(=O)OCC[N+](C)(C)CCC.
What is the InChIKey of dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-propylazanium?
The InChIKey is ILMIZWJXXFAAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22NO2/c1-6-7-12(4,5)8-9-14-11(13)10(2)3/h2,6-9H2,1,3-5H3/q+1.
What are the key properties of dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-propylazanium?
dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-propylazanium has a molecular weight of 200.30 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-propylazanium is sourced from PubChem (CID 15691061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).