dodecyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium

C20H40NO2+ — CID 15616472

IUPACdodecyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
SMILESC=C(C)C(=O)OCC[N+](C)(C)CCCCCCCCCCCC
InChIInChI=1S/C20H40NO2/c1-6-7-8-9-10-11-12-13-14-15-16-21(4,5)17-18-23-20(22)19(2)3/h2,6-18H2,1,3-5H3/q+1
InChIKeyDLHYKNARXXDKMC-UHFFFAOYSA-N
MW326.55 g/mol
LogP5.10
Rot. Bonds15

About dodecyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium

dodecyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium (PubChem CID 15616472) has the molecular formula C20H40NO2+ and a molecular weight of 326.55 g/mol. Its IUPAC name is dodecyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium.

Molecular Properties

Compound Namedodecyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
PubChem CID15616472
Molecular FormulaC20H40NO2+
Molecular Weight326.55 g/mol
Exact Mass326.31
IUPAC Namedodecyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
SMILESC=C(C)C(=O)OCC[N+](C)(C)CCCCCCCCCCCC
InChIInChI=1S/C20H40NO2/c1-6-7-8-9-10-11-12-13-14-15-16-21(4,5)17-18-23-20(22)19(2)3/h2,6-18H2,1,3-5H3/q+1
InChIKeyDLHYKNARXXDKMC-UHFFFAOYSA-N
XLogP5.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.55
LogP ≤ 55.10
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 dodecyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]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

dodecyl-dimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl]azanium iodide
CID 118037814
dimethyl-(2-methylprop-2-enoyloxymethyl)-octylazanium chloride
CID 139894451
butyl-dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium
CID 139894446
dodecyl-[2-(2-methylprop-2-enoyloxy)ethyl]-dioctylazanium
CID 172690680
hexadecyl-methyl-bis[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide
CID 141375181
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
CID 87383190
dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]-propylazanium bromide
CID 88686669
2-acetyloxyethyl-dimethyl-tetradecylazanium bromide
CID 14625468
diethyl-hexadecyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide
CID 139884591
2-acetyloxyethyl-dimethyl-pentylazanium
CID 71364720
dodecyl-[2-[2-[dodecyl(dimethyl)azaniumyl]ethoxycarbonyloxy]ethyl]-dimethylazanium
CID 102200373
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054

Frequently Asked Questions

What is the IUPAC name of dodecyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
The IUPAC name of dodecyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium (CID 15616472) is dodecyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium.
What is the SMILES notation for dodecyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
The canonical SMILES for dodecyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium is C=C(C)C(=O)OCC[N+](C)(C)CCCCCCCCCCCC.
What is the InChIKey of dodecyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
The InChIKey is DLHYKNARXXDKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40NO2/c1-6-7-8-9-10-11-12-13-14-15-16-21(4,5)17-18-23-20(22)19(2)3/h2,6-18H2,1,3-5H3/q+1.
What are the key properties of dodecyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
dodecyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium has a molecular weight of 326.55 g/mol, XLogP of 5.10, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium is sourced from PubChem (CID 15616472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).