iodomethane;methanediimine

C2H5IN2 — CID 22323963

IUPACiodomethane;methanediimine
SMILESCI.N=C=N
InChIInChI=1S/CH3I.CH2N2/c1-2;2-1-3/h1H3;2-3H
InChIKeyVWBGJDQYFJITNV-UHFFFAOYSA-N
MW183.98 g/mol
LogP1.37
Rot. Bonds

About iodomethane;methanediimine

iodomethane;methanediimine (PubChem CID 22323963) has the molecular formula C2H5IN2 and a molecular weight of 183.98 g/mol. Its IUPAC name is iodomethane;methanediimine.

Molecular Properties

Compound Nameiodomethane;methanediimine
PubChem CID22323963
Molecular FormulaC2H5IN2
Molecular Weight183.98 g/mol
Exact Mass183.95
IUPAC Nameiodomethane;methanediimine
SMILESCI.N=C=N
InChIInChI=1S/CH3I.CH2N2/c1-2;2-1-3/h1H3;2-3H
InChIKeyVWBGJDQYFJITNV-UHFFFAOYSA-N
XLogP1.37
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.98
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of iodomethane;methanediimine?
The IUPAC name of iodomethane;methanediimine (CID 22323963) is iodomethane;methanediimine.
What is the SMILES notation for iodomethane;methanediimine?
The canonical SMILES for iodomethane;methanediimine is CI.N=C=N.
What is the InChIKey of iodomethane;methanediimine?
The InChIKey is VWBGJDQYFJITNV-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3I.CH2N2/c1-2;2-1-3/h1H3;2-3H.
What are the key properties of iodomethane;methanediimine?
iodomethane;methanediimine has a molecular weight of 183.98 g/mol, XLogP of 1.37, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethane;methanediimine is sourced from PubChem (CID 22323963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).