molecular iodine;tetramethylazanium

C4H12I2N+ — CID 157068254

IUPACmolecular iodine;tetramethylazanium
SMILESC[N+](C)(C)C.II
InChIInChI=1S/C4H12N.I2/c1-5(2,3)4;1-2/h1-4H3;/q+1;
InChIKeyACCZULHLCJOSDW-UHFFFAOYSA-N
MW327.96 g/mol
LogP2.09
Rot. Bonds

About molecular iodine;tetramethylazanium

molecular iodine;tetramethylazanium (PubChem CID 157068254) has the molecular formula C4H12I2N+ and a molecular weight of 327.96 g/mol. Its IUPAC name is molecular iodine;tetramethylazanium.

Molecular Properties

Compound Namemolecular iodine;tetramethylazanium
PubChem CID157068254
Molecular FormulaC4H12I2N+
Molecular Weight327.96 g/mol
Exact Mass327.91
IUPAC Namemolecular iodine;tetramethylazanium
SMILESC[N+](C)(C)C.II
InChIInChI=1S/C4H12N.I2/c1-5(2,3)4;1-2/h1-4H3;/q+1;
InChIKeyACCZULHLCJOSDW-UHFFFAOYSA-N
XLogP2.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.96
LogP ≤ 52.09
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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Frequently Asked Questions

What is the IUPAC name of molecular iodine;tetramethylazanium?
The IUPAC name of molecular iodine;tetramethylazanium (CID 157068254) is molecular iodine;tetramethylazanium.
What is the SMILES notation for molecular iodine;tetramethylazanium?
The canonical SMILES for molecular iodine;tetramethylazanium is C[N+](C)(C)C.II.
What is the InChIKey of molecular iodine;tetramethylazanium?
The InChIKey is ACCZULHLCJOSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N.I2/c1-5(2,3)4;1-2/h1-4H3;/q+1;.
What are the key properties of molecular iodine;tetramethylazanium?
molecular iodine;tetramethylazanium has a molecular weight of 327.96 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for molecular iodine;tetramethylazanium is sourced from PubChem (CID 157068254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).