diethyl-methyl-(2-methyl-1-prop-2-enoyloxypropan-2-yl)azanium

C12H24NO2+ — CID 156790116

IUPACdiethyl-methyl-(2-methyl-1-prop-2-enoyloxypropan-2-yl)azanium
SMILESC=CC(=O)OCC(C)(C)[N+](C)(CC)CC
InChIInChI=1S/C12H24NO2/c1-7-11(14)15-10-12(4,5)13(6,8-2)9-3/h7H,1,8-10H2,2-6H3/q+1
InChIKeyMPUFVVAILGEMLS-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.98
Rot. Bonds6

About diethyl-methyl-(2-methyl-1-prop-2-enoyloxypropan-2-yl)azanium

diethyl-methyl-(2-methyl-1-prop-2-enoyloxypropan-2-yl)azanium (PubChem CID 156790116) has the molecular formula C12H24NO2+ and a molecular weight of 214.33 g/mol. Its IUPAC name is diethyl-methyl-(2-methyl-1-prop-2-enoyloxypropan-2-yl)azanium.

Molecular Properties

Compound Namediethyl-methyl-(2-methyl-1-prop-2-enoyloxypropan-2-yl)azanium
PubChem CID156790116
Molecular FormulaC12H24NO2+
Molecular Weight214.33 g/mol
Exact Mass214.18
IUPAC Namediethyl-methyl-(2-methyl-1-prop-2-enoyloxypropan-2-yl)azanium
SMILESC=CC(=O)OCC(C)(C)[N+](C)(CC)CC
InChIInChI=1S/C12H24NO2/c1-7-11(14)15-10-12(4,5)13(6,8-2)9-3/h7H,1,8-10H2,2-6H3/q+1
InChIKeyMPUFVVAILGEMLS-UHFFFAOYSA-N
XLogP1.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.98
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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Related Compounds

(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate
CID 16680
ethyl prop-2-enoate;ethyl(trimethyl)azanium
CID 175893941
2,2-dimethylbutyl prop-2-enoate;methanediol
CID 143956030
(2-amino-2-ethylbutyl) prop-2-enoate
CID 57112910
ethyl prop-2-enoate;sulfane
CID 157093783
[3-ethyl-2-methyl-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate
CID 175965047
(2-hydroxy-2-methyl-3-oxopent-4-enyl) prop-2-enoate
CID 174578379
boranuide;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 161197836
(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) prop-2-enoate
CID 58173753
triethyl(2-prop-2-enoyloxypropan-2-yl)azanium chloride
CID 161382669
[2-propan-2-ylsulfanyl-2-(2-propan-2-ylsulfanyl-1-prop-2-enoyloxypropan-2-yl)sulfanylpropyl] prop-2-enoate
CID 139834242
2,2,2-tri(prop-2-enoyloxy)ethyl prop-2-enoate
CID 19981602

Frequently Asked Questions

What is the IUPAC name of diethyl-methyl-(2-methyl-1-prop-2-enoyloxypropan-2-yl)azanium?
The IUPAC name of diethyl-methyl-(2-methyl-1-prop-2-enoyloxypropan-2-yl)azanium (CID 156790116) is diethyl-methyl-(2-methyl-1-prop-2-enoyloxypropan-2-yl)azanium.
What is the SMILES notation for diethyl-methyl-(2-methyl-1-prop-2-enoyloxypropan-2-yl)azanium?
The canonical SMILES for diethyl-methyl-(2-methyl-1-prop-2-enoyloxypropan-2-yl)azanium is C=CC(=O)OCC(C)(C)[N+](C)(CC)CC.
What is the InChIKey of diethyl-methyl-(2-methyl-1-prop-2-enoyloxypropan-2-yl)azanium?
The InChIKey is MPUFVVAILGEMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24NO2/c1-7-11(14)15-10-12(4,5)13(6,8-2)9-3/h7H,1,8-10H2,2-6H3/q+1.
What are the key properties of diethyl-methyl-(2-methyl-1-prop-2-enoyloxypropan-2-yl)azanium?
diethyl-methyl-(2-methyl-1-prop-2-enoyloxypropan-2-yl)azanium has a molecular weight of 214.33 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-methyl-(2-methyl-1-prop-2-enoyloxypropan-2-yl)azanium is sourced from PubChem (CID 156790116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).