azane;trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium;iodide;hydroiodide

C10H24I2N2O2 — CID 174627392

IUPACazane;trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium;iodide;hydroiodide
SMILESC=C(C)C(=O)OCCC[N+](C)(C)C.I.N.[I-]
InChIInChI=1S/C10H20NO2.2HI.H3N/c1-9(2)10(12)13-8-6-7-11(3,4)5;;;/h1,6-8H2,2-5H3;2*1H;1H3/q+1;;;/p-1
InChIKeyNDZPIIVBNXQKPJ-UHFFFAOYSA-M
MW458.12 g/mol
LogP-1.01
Rot. Bonds5

About azane;trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium;iodide;hydroiodide

azane;trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium;iodide;hydroiodide (PubChem CID 174627392) has the molecular formula C10H24I2N2O2 and a molecular weight of 458.12 g/mol. Its IUPAC name is azane;trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium;iodide;hydroiodide.

Molecular Properties

Compound Nameazane;trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium;iodide;hydroiodide
PubChem CID174627392
Molecular FormulaC10H24I2N2O2
Molecular Weight458.12 g/mol
Exact Mass457.99
IUPAC Nameazane;trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium;iodide;hydroiodide
SMILESC=C(C)C(=O)OCCC[N+](C)(C)C.I.N.[I-]
InChIInChI=1S/C10H20NO2.2HI.H3N/c1-9(2)10(12)13-8-6-7-11(3,4)5;;;/h1,6-8H2,2-5H3;2*1H;1H3/q+1;;;/p-1
InChIKeyNDZPIIVBNXQKPJ-UHFFFAOYSA-M
XLogP-1.01
TPSA61.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.12
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[16-(2-methylprop-2-enoyloxy)hexadecyl]azanium
CID 22327734
butyl 2-methylprop-2-enoate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride
CID 87942393
diethyl-methyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium
CID 87837598
2-methylprop-2-enamide;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride
CID 6455489
butyl-dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium
CID 139894446
4-(2-methylprop-2-enoyloxy)butyl 4-(trimethylazaniumyl)butyl phosphate
CID 87219325
chloroethane;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 19391993
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]-propylazanium bromide
CID 88686669
3-(2-methylprop-2-enoyloxy)propane-1-sulfonate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 126739957
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]-(sulfomethyl)azanium
CID 118351338

Frequently Asked Questions

What is the IUPAC name of azane;trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium;iodide;hydroiodide?
The IUPAC name of azane;trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium;iodide;hydroiodide (CID 174627392) is azane;trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium;iodide;hydroiodide.
What is the SMILES notation for azane;trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium;iodide;hydroiodide?
The canonical SMILES for azane;trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium;iodide;hydroiodide is C=C(C)C(=O)OCCC[N+](C)(C)C.I.N.[I-].
What is the InChIKey of azane;trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium;iodide;hydroiodide?
The InChIKey is NDZPIIVBNXQKPJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H20NO2.2HI.H3N/c1-9(2)10(12)13-8-6-7-11(3,4)5;;;/h1,6-8H2,2-5H3;2*1H;1H3/q+1;;;/p-1.
What are the key properties of azane;trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium;iodide;hydroiodide?
azane;trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium;iodide;hydroiodide has a molecular weight of 458.12 g/mol, XLogP of -1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium;iodide;hydroiodide is sourced from PubChem (CID 174627392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).