N-ethyl-1-[(methyl-λ3-iodanylidene)-λ3-iodanyl]methanimine

C4H9I2N — CID 163619104

IUPACN-ethyl-1-[(methyl-λ3-iodanylidene)-λ3-iodanyl]methanimine
SMILESCC/N=C/I=I/C
InChIInChI=1S/C4H9I2N/c1-3-7-4-6-5-2/h4H,3H2,1-2H3/b7-4+
InChIKeyHMOJKDLGYWUQGK-QPJJXVBHSA-N
MW324.93 g/mol
LogP2.52
Rot. Bonds2

About N-ethyl-1-[(methyl-λ3-iodanylidene)-λ3-iodanyl]methanimine

N-ethyl-1-[(methyl-λ3-iodanylidene)-λ3-iodanyl]methanimine (PubChem CID 163619104) has the molecular formula C4H9I2N and a molecular weight of 324.93 g/mol. Its IUPAC name is N-ethyl-1-[(methyl-λ3-iodanylidene)-λ3-iodanyl]methanimine.

Molecular Properties

Compound NameN-ethyl-1-[(methyl-λ3-iodanylidene)-λ3-iodanyl]methanimine
PubChem CID163619104
Molecular FormulaC4H9I2N
Molecular Weight324.93 g/mol
Exact Mass324.88
IUPAC NameN-ethyl-1-[(methyl-λ3-iodanylidene)-λ3-iodanyl]methanimine
SMILESCC/N=C/I=I/C
InChIInChI=1S/C4H9I2N/c1-3-7-4-6-5-2/h4H,3H2,1-2H3/b7-4+
InChIKeyHMOJKDLGYWUQGK-QPJJXVBHSA-N
XLogP2.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.93
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N-ethyl-1-[(methyl-λ3-iodanylidene)-λ3-iodanyl]methanimine?
The IUPAC name of N-ethyl-1-[(methyl-λ3-iodanylidene)-λ3-iodanyl]methanimine (CID 163619104) is N-ethyl-1-[(methyl-λ3-iodanylidene)-λ3-iodanyl]methanimine.
What is the SMILES notation for N-ethyl-1-[(methyl-λ3-iodanylidene)-λ3-iodanyl]methanimine?
The canonical SMILES for N-ethyl-1-[(methyl-λ3-iodanylidene)-λ3-iodanyl]methanimine is CC/N=C/I=I/C.
What is the InChIKey of N-ethyl-1-[(methyl-λ3-iodanylidene)-λ3-iodanyl]methanimine?
The InChIKey is HMOJKDLGYWUQGK-QPJJXVBHSA-N. The full InChI is InChI=1S/C4H9I2N/c1-3-7-4-6-5-2/h4H,3H2,1-2H3/b7-4+.
What are the key properties of N-ethyl-1-[(methyl-λ3-iodanylidene)-λ3-iodanyl]methanimine?
N-ethyl-1-[(methyl-λ3-iodanylidene)-λ3-iodanyl]methanimine has a molecular weight of 324.93 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[(methyl-λ3-iodanylidene)-λ3-iodanyl]methanimine is sourced from PubChem (CID 163619104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).