2-(1-iodoprop-1-en-2-yloxy)ethanamine

C5H10INO — CID 76768681

IUPAC2-(1-iodoprop-1-en-2-yloxy)ethanamine
SMILESCC(=CI)OCCN
InChIInChI=1S/C5H10INO/c1-5(4-6)8-3-2-7/h4H,2-3,7H2,1H3
InChIKeyRPMXRIVVAVGSGA-UHFFFAOYSA-N
MW227.04 g/mol
LogP1.26
Rot. Bonds3

About 2-(1-iodoprop-1-en-2-yloxy)ethanamine

2-(1-iodoprop-1-en-2-yloxy)ethanamine (PubChem CID 76768681) has the molecular formula C5H10INO and a molecular weight of 227.04 g/mol. Its IUPAC name is 2-(1-iodoprop-1-en-2-yloxy)ethanamine.

Molecular Properties

Compound Name2-(1-iodoprop-1-en-2-yloxy)ethanamine
PubChem CID76768681
Molecular FormulaC5H10INO
Molecular Weight227.04 g/mol
Exact Mass226.98
IUPAC Name2-(1-iodoprop-1-en-2-yloxy)ethanamine
SMILESCC(=CI)OCCN
InChIInChI=1S/C5H10INO/c1-5(4-6)8-3-2-7/h4H,2-3,7H2,1H3
InChIKeyRPMXRIVVAVGSGA-UHFFFAOYSA-N
XLogP1.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.04
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-iodoprop-1-en-2-yloxy)ethanamine?
The IUPAC name of 2-(1-iodoprop-1-en-2-yloxy)ethanamine (CID 76768681) is 2-(1-iodoprop-1-en-2-yloxy)ethanamine.
What is the SMILES notation for 2-(1-iodoprop-1-en-2-yloxy)ethanamine?
The canonical SMILES for 2-(1-iodoprop-1-en-2-yloxy)ethanamine is CC(=CI)OCCN.
What is the InChIKey of 2-(1-iodoprop-1-en-2-yloxy)ethanamine?
The InChIKey is RPMXRIVVAVGSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10INO/c1-5(4-6)8-3-2-7/h4H,2-3,7H2,1H3.
What are the key properties of 2-(1-iodoprop-1-en-2-yloxy)ethanamine?
2-(1-iodoprop-1-en-2-yloxy)ethanamine has a molecular weight of 227.04 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-iodoprop-1-en-2-yloxy)ethanamine is sourced from PubChem (CID 76768681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).