1-iodoprop-1-en-1-amine

C3H6IN — CID 141312363

IUPAC1-iodoprop-1-en-1-amine
SMILESCC=C(N)I
InChIInChI=1S/C3H6IN/c1-2-3(4)5/h2H,5H2,1H3
InChIKeyIUOMIUPGHTXCFZ-UHFFFAOYSA-N
MW182.99 g/mol
LogP1.24
Rot. Bonds

About 1-iodoprop-1-en-1-amine

1-iodoprop-1-en-1-amine (PubChem CID 141312363) has the molecular formula C3H6IN and a molecular weight of 182.99 g/mol. Its IUPAC name is 1-iodoprop-1-en-1-amine.

Molecular Properties

Compound Name1-iodoprop-1-en-1-amine
PubChem CID141312363
Molecular FormulaC3H6IN
Molecular Weight182.99 g/mol
Exact Mass182.95
IUPAC Name1-iodoprop-1-en-1-amine
SMILESCC=C(N)I
InChIInChI=1S/C3H6IN/c1-2-3(4)5/h2H,5H2,1H3
InChIKeyIUOMIUPGHTXCFZ-UHFFFAOYSA-N
XLogP1.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.99
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-iodoprop-1-en-1-amine?
The IUPAC name of 1-iodoprop-1-en-1-amine (CID 141312363) is 1-iodoprop-1-en-1-amine.
What is the SMILES notation for 1-iodoprop-1-en-1-amine?
The canonical SMILES for 1-iodoprop-1-en-1-amine is CC=C(N)I.
What is the InChIKey of 1-iodoprop-1-en-1-amine?
The InChIKey is IUOMIUPGHTXCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6IN/c1-2-3(4)5/h2H,5H2,1H3.
What are the key properties of 1-iodoprop-1-en-1-amine?
1-iodoprop-1-en-1-amine has a molecular weight of 182.99 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodoprop-1-en-1-amine is sourced from PubChem (CID 141312363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).