hydron;tetrabutylazanium;diiodide

C16H37I2N — CID 173281455

IUPAChydron;tetrabutylazanium;diiodide
SMILESCCCC[N+](CCCC)(CCCC)CCCC.[H+].[I-].[I-]
InChIInChI=1S/C16H36N.2HI/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;/h5-16H2,1-4H3;2*1H/q+1;;/p-1
InChIKeyWEQQFMDDYODBTL-UHFFFAOYSA-M
MW497.29 g/mol
LogP-0.88
Rot. Bonds12

About hydron;tetrabutylazanium;diiodide

hydron;tetrabutylazanium;diiodide (PubChem CID 173281455) has the molecular formula C16H37I2N and a molecular weight of 497.29 g/mol. Its IUPAC name is hydron;tetrabutylazanium;diiodide.

Molecular Properties

Compound Namehydron;tetrabutylazanium;diiodide
PubChem CID173281455
Molecular FormulaC16H37I2N
Molecular Weight497.29 g/mol
Exact Mass497.10
IUPAC Namehydron;tetrabutylazanium;diiodide
SMILESCCCC[N+](CCCC)(CCCC)CCCC.[H+].[I-].[I-]
InChIInChI=1S/C16H36N.2HI/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;/h5-16H2,1-4H3;2*1H/q+1;;/p-1
InChIKeyWEQQFMDDYODBTL-UHFFFAOYSA-M
XLogP-0.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.29
LogP ≤ 5-0.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

potassium;tetrabutylazanium;diiodide
CID 144841578
hydron;tetrabutylazanium;sulfide
CID 87064104
hydron;tetrabutylazanium;hydrobromide
CID 173127393
butyl-heptyl-hexyl-pentylazanium iodide
CID 71382087
tetrabutylazanium hydroxide
CID 2723671
tetrabutylazanium;pentahydrate
CID 173386676
dodecane;tetrabutylazanium
CID 173225937
butyl(tripentyl)azanium
CID 14022644
hydron;oxophosphane;tetrabutylazanium
CID 174884742
bis(tetrabutylazanium);tetrachloroplatinum(2-)
CID 87982663
silane;tetrabutylazanium;fluoride
CID 174896730
tributyl(triacontyl)azanium
CID 153322884

Frequently Asked Questions

What is the IUPAC name of hydron;tetrabutylazanium;diiodide?
The IUPAC name of hydron;tetrabutylazanium;diiodide (CID 173281455) is hydron;tetrabutylazanium;diiodide.
What is the SMILES notation for hydron;tetrabutylazanium;diiodide?
The canonical SMILES for hydron;tetrabutylazanium;diiodide is CCCC[N+](CCCC)(CCCC)CCCC.[H+].[I-].[I-].
What is the InChIKey of hydron;tetrabutylazanium;diiodide?
The InChIKey is WEQQFMDDYODBTL-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H36N.2HI/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;/h5-16H2,1-4H3;2*1H/q+1;;/p-1.
What are the key properties of hydron;tetrabutylazanium;diiodide?
hydron;tetrabutylazanium;diiodide has a molecular weight of 497.29 g/mol, XLogP of -0.88, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;tetrabutylazanium;diiodide is sourced from PubChem (CID 173281455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).