3-iodopropanimidamide

C3H7IN2 — CID 57091020

IUPAC3-iodopropanimidamide
SMILES[H]/N=C(/N)CCI
InChIInChI=1S/C3H7IN2/c4-2-1-3(5)6/h1-2H2,(H3,5,6)
InChIKeyXECDJCGDHJSJGH-UHFFFAOYSA-N
MW198.01 g/mol
LogP0.75
Rot. Bonds2

About 3-iodopropanimidamide

3-iodopropanimidamide (PubChem CID 57091020) has the molecular formula C3H7IN2 and a molecular weight of 198.01 g/mol. Its IUPAC name is 3-iodopropanimidamide.

Molecular Properties

Compound Name3-iodopropanimidamide
PubChem CID57091020
Molecular FormulaC3H7IN2
Molecular Weight198.01 g/mol
Exact Mass197.97
IUPAC Name3-iodopropanimidamide
SMILES[H]/N=C(/N)CCI
InChIInChI=1S/C3H7IN2/c4-2-1-3(5)6/h1-2H2,(H3,5,6)
InChIKeyXECDJCGDHJSJGH-UHFFFAOYSA-N
XLogP0.75
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.01
LogP ≤ 50.75
H-Bond Donors ≤ 52
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': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-iodopropanimidamide?
The IUPAC name of 3-iodopropanimidamide (CID 57091020) is 3-iodopropanimidamide.
What is the SMILES notation for 3-iodopropanimidamide?
The canonical SMILES for 3-iodopropanimidamide is [H]/N=C(/N)CCI.
What is the InChIKey of 3-iodopropanimidamide?
The InChIKey is XECDJCGDHJSJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7IN2/c4-2-1-3(5)6/h1-2H2,(H3,5,6).
What are the key properties of 3-iodopropanimidamide?
3-iodopropanimidamide has a molecular weight of 198.01 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodopropanimidamide is sourced from PubChem (CID 57091020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).