diethyl-methyl-[2-(2-methylprop-2-enoxy)ethyl]azanium

C11H24NO+ — CID 87264679

IUPACdiethyl-methyl-[2-(2-methylprop-2-enoxy)ethyl]azanium
SMILESC=C(C)COCC[N+](C)(CC)CC
InChIInChI=1S/C11H24NO/c1-6-12(5,7-2)8-9-13-10-11(3)4/h3,6-10H2,1-2,4-5H3/q+1
InChIKeyUBNWEGUHWZGHPY-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.07
Rot. Bonds7

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

diethyl-methyl-[2-(2-methylprop-2-enoxy)ethyl]azanium (PubChem CID 87264679) has the molecular formula C11H24NO+ and a molecular weight of 186.32 g/mol. Its IUPAC name is diethyl-methyl-[2-(2-methylprop-2-enoxy)ethyl]azanium.

Molecular Properties

Compound Namediethyl-methyl-[2-(2-methylprop-2-enoxy)ethyl]azanium
PubChem CID87264679
Molecular FormulaC11H24NO+
Molecular Weight186.32 g/mol
Exact Mass186.19
IUPAC Namediethyl-methyl-[2-(2-methylprop-2-enoxy)ethyl]azanium
SMILESC=C(C)COCC[N+](C)(CC)CC
InChIInChI=1S/C11H24NO/c1-6-12(5,7-2)8-9-13-10-11(3)4/h3,6-10H2,1-2,4-5H3/q+1
InChIKeyUBNWEGUHWZGHPY-UHFFFAOYSA-N
XLogP2.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 diethyl-methyl-[2-(2-methylprop-2-enoxy)ethyl]azanium?
The IUPAC name of diethyl-methyl-[2-(2-methylprop-2-enoxy)ethyl]azanium (CID 87264679) is diethyl-methyl-[2-(2-methylprop-2-enoxy)ethyl]azanium.
What is the SMILES notation for diethyl-methyl-[2-(2-methylprop-2-enoxy)ethyl]azanium?
The canonical SMILES for diethyl-methyl-[2-(2-methylprop-2-enoxy)ethyl]azanium is C=C(C)COCC[N+](C)(CC)CC.
What is the InChIKey of diethyl-methyl-[2-(2-methylprop-2-enoxy)ethyl]azanium?
The InChIKey is UBNWEGUHWZGHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24NO/c1-6-12(5,7-2)8-9-13-10-11(3)4/h3,6-10H2,1-2,4-5H3/q+1.
What are the key properties of diethyl-methyl-[2-(2-methylprop-2-enoxy)ethyl]azanium?
diethyl-methyl-[2-(2-methylprop-2-enoxy)ethyl]azanium has a molecular weight of 186.32 g/mol, XLogP of 2.07, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-methyl-[2-(2-methylprop-2-enoxy)ethyl]azanium is sourced from PubChem (CID 87264679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).