Ammonium, oxybis(trimethylene)bis(trimethyl-, diiodide

C12H30I2N2O — CID 46899

IUPACtrimethyl-[3-[3-(trimethylazaniumyl)propoxy]propyl]azanium diiodide
SMILESC[N+](C)(C)CCCOCCC[N+](C)(C)C.[I-].[I-]
InChIInChI=1S/C12H30N2O.2HI/c1-13(2,3)9-7-11-15-12-8-10-14(4,5)6;;/h7-12H2,1-6H3;2*1H/q+2;;/p-2
InChIKeyBDMHRDJIKJNRKY-UHFFFAOYSA-L
MW472.19 g/mol
LogP—
Rot. Bonds8

About Ammonium, oxybis(trimethylene)bis(trimethyl-, diiodide

Ammonium, oxybis(trimethylene)bis(trimethyl-, diiodide (PubChem CID 46899) has the molecular formula C12H30I2N2O and a molecular weight of 472.19 g/mol. Its IUPAC name is trimethyl-[3-[3-(trimethylazaniumyl)propoxy]propyl]azanium diiodide.

Molecular Properties

Compound NameAmmonium, oxybis(trimethylene)bis(trimethyl-, diiodide
PubChem CID46899
Molecular FormulaC12H30I2N2O
Molecular Weight472.19 g/mol
Exact Mass472.04
IUPAC Nametrimethyl-[3-[3-(trimethylazaniumyl)propoxy]propyl]azanium diiodide
SMILESC[N+](C)(C)CCCOCCC[N+](C)(C)C.[I-].[I-]
InChIInChI=1S/C12H30N2O.2HI/c1-13(2,3)9-7-11-15-12-8-10-14(4,5)6;;/h7-12H2,1-6H3;2*1H/q+2;;/p-2
InChIKeyBDMHRDJIKJNRKY-UHFFFAOYSA-L
XLogP—
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity138

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.19
H-Bond Donors ≤ 50
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': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-Propanamine, 3-(2-(dimethylamino)ethoxy)-N,N-dimethyl-
CID 118728
Ammonium, N,N-diethyl-N,N',N',N'-tetramethyl-N',N-oxyethylenetrimethylenedi-, diiodide
CID 45775
Ammonium, N,N-diethyl-N,N',N',N'-tetramethyl-N,N'-oxybis(trimethylene)di-, diiodide
CID 45817
3,3'-Oxybis(N,N-diethyl-N-methylpropan-1-aminium) diiodide
CID 46893
1-Propanamine, 3,3'-oxybis[N,N-dimethyl-
CID 12295923
3-Ethoxy-N,N-dimethylpropylamine
CID 91374
Triethyl-[3-[3-(triethylazaniumyl)propoxy]propyl]azanium
CID 46898
Trimethyl-[3-[3-(trimethylazaniumyl)propoxy]propyl]azanium
CID 46900
N,N-Dimethyl-3-butoxypropylamine
CID 547393
Triethyl-[3-[3-[ethyl(dimethyl)azaniumyl]propoxy]propyl]azanium
CID 45803
Diethyl-methyl-[3-[3-(trimethylazaniumyl)propoxy]propyl]azanium
CID 45818
3-[3-[Diethyl(methyl)azaniumyl]propoxy]propyl-diethyl-methylazanium
CID 46894

Frequently Asked Questions

What is the IUPAC name of Ammonium, oxybis(trimethylene)bis(trimethyl-, diiodide?
The IUPAC name of Ammonium, oxybis(trimethylene)bis(trimethyl-, diiodide (CID 46899) is trimethyl-[3-[3-(trimethylazaniumyl)propoxy]propyl]azanium diiodide.
What is the SMILES notation for Ammonium, oxybis(trimethylene)bis(trimethyl-, diiodide?
The canonical SMILES for Ammonium, oxybis(trimethylene)bis(trimethyl-, diiodide is C[N+](C)(C)CCCOCCC[N+](C)(C)C.[I-].[I-].
What is the InChIKey of Ammonium, oxybis(trimethylene)bis(trimethyl-, diiodide?
The InChIKey is BDMHRDJIKJNRKY-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H30N2O.2HI/c1-13(2,3)9-7-11-15-12-8-10-14(4,5)6;;/h7-12H2,1-6H3;2*1H/q+2;;/p-2.
What are the key properties of Ammonium, oxybis(trimethylene)bis(trimethyl-, diiodide?
Ammonium, oxybis(trimethylene)bis(trimethyl-, diiodide has a molecular weight of 472.19 g/mol, XLogP of not available, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Ammonium, oxybis(trimethylene)bis(trimethyl-, diiodide is sourced from PubChem (CID 46899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).