tris(2-methoxyethyl)-(3-methoxypropyl)azanium iodide

C13H30INO4 — CID 71320741

IUPACtris(2-methoxyethyl)-(3-methoxypropyl)azanium iodide
SMILESCOCCC[N+](CCOC)(CCOC)CCOC.[I-]
InChIInChI=1S/C13H30NO4.HI/c1-15-10-5-6-14(7-11-16-2,8-12-17-3)9-13-18-4;/h5-13H2,1-4H3;1H/q+1;/p-1
InChIKeyUKYHDJFOUVGTFM-UHFFFAOYSA-M
MW391.29 g/mol
LogP-2.22
Rot. Bonds13

About tris(2-methoxyethyl)-(3-methoxypropyl)azanium iodide

tris(2-methoxyethyl)-(3-methoxypropyl)azanium iodide (PubChem CID 71320741) has the molecular formula C13H30INO4 and a molecular weight of 391.29 g/mol. Its IUPAC name is tris(2-methoxyethyl)-(3-methoxypropyl)azanium iodide.

Molecular Properties

Compound Nametris(2-methoxyethyl)-(3-methoxypropyl)azanium iodide
PubChem CID71320741
Molecular FormulaC13H30INO4
Molecular Weight391.29 g/mol
Exact Mass391.12
IUPAC Nametris(2-methoxyethyl)-(3-methoxypropyl)azanium iodide
SMILESCOCCC[N+](CCOC)(CCOC)CCOC.[I-]
InChIInChI=1S/C13H30NO4.HI/c1-15-10-5-6-14(7-11-16-2,8-12-17-3)9-13-18-4;/h5-13H2,1-4H3;1H/q+1;/p-1
InChIKeyUKYHDJFOUVGTFM-UHFFFAOYSA-M
XLogP-2.22
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.29
LogP ≤ 5-2.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

tris(2-methoxyethyl)-(3-methoxypropyl)azanium
CID 71320742
2-ethoxyethyl-(2-methoxyethyl)-(3-methoxypropyl)-[2-[methyl-[2-[tris(2-methoxyethyl)azaniumyl]ethoxy]phosphoryl]oxyethyl]azanium
CID 163946191
triethyl(2-methoxyethyl)azanium
CID 3026728
methane;3-methoxypropyl(trimethyl)azanium
CID 159181056
triethyl-[3-[2-(2-methoxyethoxy)ethoxy]propyl]azanium
CID 135364479
tris(2-methoxyethyl)-prop-2-enylazanium
CID 118014784
tetrabutylazanium;tributyl-chloro-(3-methoxypropyl)-λ5-phosphane;bromide
CID 142014754
diethyl-(2-methoxyethyl)-methylazanium iodide
CID 71374868
fluoromethyl-(2-methoxyethyl)-dimethylazanium iodide
CID 146629304
1-methoxyhexacosane
CID 20780514
magnesium;1-methoxybutane;diiodide
CID 175076057
2-methoxyethyl(trimethyl)azanium chloride
CID 23352174

Frequently Asked Questions

What is the IUPAC name of tris(2-methoxyethyl)-(3-methoxypropyl)azanium iodide?
The IUPAC name of tris(2-methoxyethyl)-(3-methoxypropyl)azanium iodide (CID 71320741) is tris(2-methoxyethyl)-(3-methoxypropyl)azanium iodide.
What is the SMILES notation for tris(2-methoxyethyl)-(3-methoxypropyl)azanium iodide?
The canonical SMILES for tris(2-methoxyethyl)-(3-methoxypropyl)azanium iodide is COCCC[N+](CCOC)(CCOC)CCOC.[I-].
What is the InChIKey of tris(2-methoxyethyl)-(3-methoxypropyl)azanium iodide?
The InChIKey is UKYHDJFOUVGTFM-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H30NO4.HI/c1-15-10-5-6-14(7-11-16-2,8-12-17-3)9-13-18-4;/h5-13H2,1-4H3;1H/q+1;/p-1.
What are the key properties of tris(2-methoxyethyl)-(3-methoxypropyl)azanium iodide?
tris(2-methoxyethyl)-(3-methoxypropyl)azanium iodide has a molecular weight of 391.29 g/mol, XLogP of -2.22, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methoxyethyl)-(3-methoxypropyl)azanium iodide is sourced from PubChem (CID 71320741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).