dimethyl-bis(oxiran-2-ylmethyl)azanium iodide

C8H16INO2 — CID 88835208

IUPACdimethyl-bis(oxiran-2-ylmethyl)azanium iodide
SMILESC[N+](C)(CC1CO1)CC1CO1.[I-]
InChIInChI=1S/C8H16NO2.HI/c1-9(2,3-7-5-10-7)4-8-6-11-8;/h7-8H,3-6H2,1-2H3;1H/q+1;/p-1
InChIKeyGPGHTZGFTHTSSZ-UHFFFAOYSA-M
MW285.12 g/mol
LogP-3.14
Rot. Bonds4

About dimethyl-bis(oxiran-2-ylmethyl)azanium iodide

dimethyl-bis(oxiran-2-ylmethyl)azanium iodide (PubChem CID 88835208) has the molecular formula C8H16INO2 and a molecular weight of 285.12 g/mol. Its IUPAC name is dimethyl-bis(oxiran-2-ylmethyl)azanium iodide.

Molecular Properties

Compound Namedimethyl-bis(oxiran-2-ylmethyl)azanium iodide
PubChem CID88835208
Molecular FormulaC8H16INO2
Molecular Weight285.12 g/mol
Exact Mass285.02
IUPAC Namedimethyl-bis(oxiran-2-ylmethyl)azanium iodide
SMILESC[N+](C)(CC1CO1)CC1CO1.[I-]
InChIInChI=1S/C8H16NO2.HI/c1-9(2,3-7-5-10-7)4-8-6-11-8;/h7-8H,3-6H2,1-2H3;1H/q+1;/p-1
InChIKeyGPGHTZGFTHTSSZ-UHFFFAOYSA-M
XLogP-3.14
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 5-3.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trimethyl(oxiran-2-ylmethyl)azanium;hydrate
CID 174817905
dimethyl-(oxiran-2-ylmethyl)-prop-2-enylazanium
CID 87381029
butyl-methyl-bis(oxiran-2-ylmethyl)azanium iodide
CID 88835629
propan-2-ol;trimethyl(oxiran-2-ylmethyl)azanium;chloride
CID 175186062
trimethyl-[[(2R,5R)-5-methyl-1,4-dioxan-2-yl]methyl]azanium
CID 46227555
N'-(2-aminoethyl)ethane-1,2-diamine;dimethyl-bis(oxiran-2-ylmethyl)azanium;hexanedioic acid;chloride
CID 6454296
1,3-dioxolan-4-ylmethyl(trimethyl)azanium bromide
CID 23273521
methyl-dioctadecyl-(oxiran-2-ylmethyl)azanium chloride
CID 57483147
azane;nitric acid;trimethyl(oxiran-2-ylmethyl)azanium;nitrate
CID 174675745
dodecyl-methyl-(oxiran-2-ylmethyl)-tetradecylazanium chloride
CID 174322238
[4-[[4-[dimethyl(oxiran-2-ylmethyl)azaniumyl]phenyl]methyl]phenyl]-dimethyl-(oxiran-2-ylmethyl)azanium
CID 130261098
dimethyl-(oxiran-2-ylmethyl)-propylazanium;N-methylprop-2-enamide;chloride
CID 160635037

Frequently Asked Questions

What is the IUPAC name of dimethyl-bis(oxiran-2-ylmethyl)azanium iodide?
The IUPAC name of dimethyl-bis(oxiran-2-ylmethyl)azanium iodide (CID 88835208) is dimethyl-bis(oxiran-2-ylmethyl)azanium iodide.
What is the SMILES notation for dimethyl-bis(oxiran-2-ylmethyl)azanium iodide?
The canonical SMILES for dimethyl-bis(oxiran-2-ylmethyl)azanium iodide is C[N+](C)(CC1CO1)CC1CO1.[I-].
What is the InChIKey of dimethyl-bis(oxiran-2-ylmethyl)azanium iodide?
The InChIKey is GPGHTZGFTHTSSZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16NO2.HI/c1-9(2,3-7-5-10-7)4-8-6-11-8;/h7-8H,3-6H2,1-2H3;1H/q+1;/p-1.
What are the key properties of dimethyl-bis(oxiran-2-ylmethyl)azanium iodide?
dimethyl-bis(oxiran-2-ylmethyl)azanium iodide has a molecular weight of 285.12 g/mol, XLogP of -3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(oxiran-2-ylmethyl)azanium iodide is sourced from PubChem (CID 88835208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).