diethyl-methyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium

C12H24NO2+ — CID 87837598

IUPACdiethyl-methyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium
SMILESC=C(C)C(=O)OCCC[N+](C)(CC)CC
InChIInChI=1S/C12H24NO2/c1-6-13(5,7-2)9-8-10-15-12(14)11(3)4/h3,6-10H2,1-2,4-5H3/q+1
InChIKeyYRJAYQWBISQKEW-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.98
Rot. Bonds7

About diethyl-methyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium

diethyl-methyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium (PubChem CID 87837598) has the molecular formula C12H24NO2+ and a molecular weight of 214.33 g/mol. Its IUPAC name is diethyl-methyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium.

Molecular Properties

Compound Namediethyl-methyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium
PubChem CID87837598
Molecular FormulaC12H24NO2+
Molecular Weight214.33 g/mol
Exact Mass214.18
IUPAC Namediethyl-methyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium
SMILESC=C(C)C(=O)OCCC[N+](C)(CC)CC
InChIInChI=1S/C12H24NO2/c1-6-13(5,7-2)9-8-10-15-12(14)11(3)4/h3,6-10H2,1-2,4-5H3/q+1
InChIKeyYRJAYQWBISQKEW-UHFFFAOYSA-N
XLogP1.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze diethyl-methyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butyl-ethyl-methyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 172780069
butyl-dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium
CID 139894446
dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]-propylazanium bromide
CID 88686669
azane;trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium;iodide;hydroiodide
CID 174627392
butyl 2-methylprop-2-enoate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride
CID 87942393
hexadecyl-methyl-bis[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide
CID 141375181
diethyl-methyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;trifluoromethanesulfonate
CID 159178640
trimethyl-[16-(2-methylprop-2-enoyloxy)hexadecyl]azanium
CID 22327734
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
butyl 2-methylprop-2-enoate;methane
CID 159646333
butyl 2-methylprop-2-enoate;λ2-stannane
CID 173448670
butyl 2-methylprop-2-enoate;ethene
CID 158758814

Frequently Asked Questions

What is the IUPAC name of diethyl-methyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium?
The IUPAC name of diethyl-methyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium (CID 87837598) is diethyl-methyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium.
What is the SMILES notation for diethyl-methyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium?
The canonical SMILES for diethyl-methyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium is C=C(C)C(=O)OCCC[N+](C)(CC)CC.
What is the InChIKey of diethyl-methyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium?
The InChIKey is YRJAYQWBISQKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24NO2/c1-6-13(5,7-2)9-8-10-15-12(14)11(3)4/h3,6-10H2,1-2,4-5H3/q+1.
What are the key properties of diethyl-methyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium?
diethyl-methyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium has a molecular weight of 214.33 g/mol, XLogP of 1.98, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-methyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium is sourced from PubChem (CID 87837598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).