3,3-diiodopropanimidamide

C3H6I2N2 — CID 57264007

IUPAC3,3-diiodopropanimidamide
SMILES[H]/N=C(\N)CC(I)I
InChIInChI=1S/C3H6I2N2/c4-2(5)1-3(6)7/h2H,1H2,(H3,6,7)
InChIKeySIZMOBLVSHVUPH-UHFFFAOYSA-N
MW323.90 g/mol
LogP1.51
Rot. Bonds2

About 3,3-diiodopropanimidamide

3,3-diiodopropanimidamide (PubChem CID 57264007) has the molecular formula C3H6I2N2 and a molecular weight of 323.90 g/mol. Its IUPAC name is 3,3-diiodopropanimidamide.

Molecular Properties

Compound Name3,3-diiodopropanimidamide
PubChem CID57264007
Molecular FormulaC3H6I2N2
Molecular Weight323.90 g/mol
Exact Mass323.86
IUPAC Name3,3-diiodopropanimidamide
SMILES[H]/N=C(\N)CC(I)I
InChIInChI=1S/C3H6I2N2/c4-2(5)1-3(6)7/h2H,1H2,(H3,6,7)
InChIKeySIZMOBLVSHVUPH-UHFFFAOYSA-N
XLogP1.51
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.90
LogP ≤ 51.51
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 3,3-diiodopropanimidamide?
The IUPAC name of 3,3-diiodopropanimidamide (CID 57264007) is 3,3-diiodopropanimidamide.
What is the SMILES notation for 3,3-diiodopropanimidamide?
The canonical SMILES for 3,3-diiodopropanimidamide is [H]/N=C(\N)CC(I)I.
What is the InChIKey of 3,3-diiodopropanimidamide?
The InChIKey is SIZMOBLVSHVUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6I2N2/c4-2(5)1-3(6)7/h2H,1H2,(H3,6,7).
What are the key properties of 3,3-diiodopropanimidamide?
3,3-diiodopropanimidamide has a molecular weight of 323.90 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diiodopropanimidamide is sourced from PubChem (CID 57264007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).