N-[2-(2-iodoethoxy)ethyl]prop-2-en-1-imine

C7H12INO — CID 137390626

IUPACN-[2-(2-iodoethoxy)ethyl]prop-2-en-1-imine
SMILESC=C/C=N/CCOCCI
InChIInChI=1S/C7H12INO/c1-2-4-9-5-7-10-6-3-8/h2,4H,1,3,5-7H2/b9-4+
InChIKeyZZKGRAZKJZELMV-RUDMXATFSA-N
MW253.08 g/mol
LogP1.69
Rot. Bonds6

About N-[2-(2-iodoethoxy)ethyl]prop-2-en-1-imine

N-[2-(2-iodoethoxy)ethyl]prop-2-en-1-imine (PubChem CID 137390626) has the molecular formula C7H12INO and a molecular weight of 253.08 g/mol. Its IUPAC name is N-[2-(2-iodoethoxy)ethyl]prop-2-en-1-imine.

Molecular Properties

Compound NameN-[2-(2-iodoethoxy)ethyl]prop-2-en-1-imine
PubChem CID137390626
Molecular FormulaC7H12INO
Molecular Weight253.08 g/mol
Exact Mass253.00
IUPAC NameN-[2-(2-iodoethoxy)ethyl]prop-2-en-1-imine
SMILESC=C/C=N/CCOCCI
InChIInChI=1S/C7H12INO/c1-2-4-9-5-7-10-6-3-8/h2,4H,1,3,5-7H2/b9-4+
InChIKeyZZKGRAZKJZELMV-RUDMXATFSA-N
XLogP1.69
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.08
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-propoxyethyl)prop-2-en-1-imine
CID 126760960
3-[2-(2-Aminoiodanuidylethoxy)ethylimino]prop-1-ene
CID 164115978

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-iodoethoxy)ethyl]prop-2-en-1-imine?
The IUPAC name of N-[2-(2-iodoethoxy)ethyl]prop-2-en-1-imine (CID 137390626) is N-[2-(2-iodoethoxy)ethyl]prop-2-en-1-imine.
What is the SMILES notation for N-[2-(2-iodoethoxy)ethyl]prop-2-en-1-imine?
The canonical SMILES for N-[2-(2-iodoethoxy)ethyl]prop-2-en-1-imine is C=C/C=N/CCOCCI.
What is the InChIKey of N-[2-(2-iodoethoxy)ethyl]prop-2-en-1-imine?
The InChIKey is ZZKGRAZKJZELMV-RUDMXATFSA-N. The full InChI is InChI=1S/C7H12INO/c1-2-4-9-5-7-10-6-3-8/h2,4H,1,3,5-7H2/b9-4+.
What are the key properties of N-[2-(2-iodoethoxy)ethyl]prop-2-en-1-imine?
N-[2-(2-iodoethoxy)ethyl]prop-2-en-1-imine has a molecular weight of 253.08 g/mol, XLogP of 1.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-iodoethoxy)ethyl]prop-2-en-1-imine is sourced from PubChem (CID 137390626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).