iodomethyl(trimethyl)azanium;hydroiodide

C4H12I2N+ — CID 123134447

IUPACiodomethyl(trimethyl)azanium;hydroiodide
SMILESC[N+](C)(C)CI.I
InChIInChI=1S/C4H11IN.HI/c1-6(2,3)4-5;/h4H2,1-3H3;1H/q+1;
InChIKeyIFVIWWQMNYZYFQ-UHFFFAOYSA-N
MW327.96 g/mol
LogP1.70
Rot. Bonds1

About iodomethyl(trimethyl)azanium;hydroiodide

iodomethyl(trimethyl)azanium;hydroiodide (PubChem CID 123134447) has the molecular formula C4H12I2N+ and a molecular weight of 327.96 g/mol. Its IUPAC name is iodomethyl(trimethyl)azanium;hydroiodide.

Molecular Properties

Compound Nameiodomethyl(trimethyl)azanium;hydroiodide
PubChem CID123134447
Molecular FormulaC4H12I2N+
Molecular Weight327.96 g/mol
Exact Mass327.91
IUPAC Nameiodomethyl(trimethyl)azanium;hydroiodide
SMILESC[N+](C)(C)CI.I
InChIInChI=1S/C4H11IN.HI/c1-6(2,3)4-5;/h4H2,1-3H3;1H/q+1;
InChIKeyIFVIWWQMNYZYFQ-UHFFFAOYSA-N
XLogP1.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.96
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

ethyl(trimethyl)azanium;dihydrate
CID 174491612
trimethyl-[2-(trimethylazaniumyl)ethyl]azanium dibromide
CID 71381310
molecular iodine;tetramethylazanium
CID 157068254
iodo(1,2-13C2)ethane
CID 10855737
2-hydroxyethyl(trimethyl)azanium;hydrochloride;dihydroiodide
CID 175143989
hydroxymethyl(trimethyl)azanium hydroxide
CID 15559305
boranuide;hydroxymethyl(trimethyl)azanium
CID 141026951
chloromethyl(trimethyl)azanium;germane
CID 174422995
diamino-(iodomethylamino)-methylazanium
CID 163536274
N,N-dimethylmethanamine oxide;hydroiodide
CID 119095335
argon;iodoethane
CID 22146514
iodoethane;zinc
CID 87126812

Frequently Asked Questions

What is the IUPAC name of iodomethyl(trimethyl)azanium;hydroiodide?
The IUPAC name of iodomethyl(trimethyl)azanium;hydroiodide (CID 123134447) is iodomethyl(trimethyl)azanium;hydroiodide.
What is the SMILES notation for iodomethyl(trimethyl)azanium;hydroiodide?
The canonical SMILES for iodomethyl(trimethyl)azanium;hydroiodide is C[N+](C)(C)CI.I.
What is the InChIKey of iodomethyl(trimethyl)azanium;hydroiodide?
The InChIKey is IFVIWWQMNYZYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11IN.HI/c1-6(2,3)4-5;/h4H2,1-3H3;1H/q+1;.
What are the key properties of iodomethyl(trimethyl)azanium;hydroiodide?
iodomethyl(trimethyl)azanium;hydroiodide has a molecular weight of 327.96 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethyl(trimethyl)azanium;hydroiodide is sourced from PubChem (CID 123134447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).