N-[2-(methyl-λ3-iodanylidene)ethyl]ethanimine

C5H10IN — CID 147234232

IUPACN-[2-(methyl-λ3-iodanylidene)ethyl]ethanimine
SMILESC/C=N/C/C=I/C
InChIInChI=1S/C5H10IN/c1-3-7-5-4-6-2/h3-4H,5H2,1-2H3/b7-3+
InChIKeyCJMQJMZDWVPPPD-XVNBXDOJSA-N
MW211.05 g/mol
LogP1.48
Rot. Bonds2

About N-[2-(methyl-λ3-iodanylidene)ethyl]ethanimine

N-[2-(methyl-λ3-iodanylidene)ethyl]ethanimine (PubChem CID 147234232) has the molecular formula C5H10IN and a molecular weight of 211.05 g/mol. Its IUPAC name is N-[2-(methyl-λ3-iodanylidene)ethyl]ethanimine.

Molecular Properties

Compound NameN-[2-(methyl-λ3-iodanylidene)ethyl]ethanimine
PubChem CID147234232
Molecular FormulaC5H10IN
Molecular Weight211.05 g/mol
Exact Mass210.99
IUPAC NameN-[2-(methyl-λ3-iodanylidene)ethyl]ethanimine
SMILESC/C=N/C/C=I/C
InChIInChI=1S/C5H10IN/c1-3-7-5-4-6-2/h3-4H,5H2,1-2H3/b7-3+
InChIKeyCJMQJMZDWVPPPD-XVNBXDOJSA-N
XLogP1.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.05
LogP ≤ 51.48
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'}

Analyze N-[2-(methyl-λ3-iodanylidene)ethyl]ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(methyl-λ3-iodanylidene)ethyl]ethanimine?
The IUPAC name of N-[2-(methyl-λ3-iodanylidene)ethyl]ethanimine (CID 147234232) is N-[2-(methyl-λ3-iodanylidene)ethyl]ethanimine.
What is the SMILES notation for N-[2-(methyl-λ3-iodanylidene)ethyl]ethanimine?
The canonical SMILES for N-[2-(methyl-λ3-iodanylidene)ethyl]ethanimine is C/C=N/C/C=I/C.
What is the InChIKey of N-[2-(methyl-λ3-iodanylidene)ethyl]ethanimine?
The InChIKey is CJMQJMZDWVPPPD-XVNBXDOJSA-N. The full InChI is InChI=1S/C5H10IN/c1-3-7-5-4-6-2/h3-4H,5H2,1-2H3/b7-3+.
What are the key properties of N-[2-(methyl-λ3-iodanylidene)ethyl]ethanimine?
N-[2-(methyl-λ3-iodanylidene)ethyl]ethanimine has a molecular weight of 211.05 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methyl-λ3-iodanylidene)ethyl]ethanimine is sourced from PubChem (CID 147234232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).