4-iodobutanimidamide

C4H9IN2 — CID 57272235

IUPAC4-iodobutanimidamide
SMILES[H]/N=C(/N)CCCI
InChIInChI=1S/C4H9IN2/c5-3-1-2-4(6)7/h1-3H2,(H3,6,7)
InChIKeyJVIRWUXJSCSCCA-UHFFFAOYSA-N
MW212.03 g/mol
LogP1.14
Rot. Bonds3

About 4-iodobutanimidamide

4-iodobutanimidamide (PubChem CID 57272235) has the molecular formula C4H9IN2 and a molecular weight of 212.03 g/mol. Its IUPAC name is 4-iodobutanimidamide.

Molecular Properties

Compound Name4-iodobutanimidamide
PubChem CID57272235
Molecular FormulaC4H9IN2
Molecular Weight212.03 g/mol
Exact Mass211.98
IUPAC Name4-iodobutanimidamide
SMILES[H]/N=C(/N)CCCI
InChIInChI=1S/C4H9IN2/c5-3-1-2-4(6)7/h1-3H2,(H3,6,7)
InChIKeyJVIRWUXJSCSCCA-UHFFFAOYSA-N
XLogP1.14
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.03
LogP ≤ 51.14
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'}

Analyze 4-iodobutanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-iodobutanimidamide?
The IUPAC name of 4-iodobutanimidamide (CID 57272235) is 4-iodobutanimidamide.
What is the SMILES notation for 4-iodobutanimidamide?
The canonical SMILES for 4-iodobutanimidamide is [H]/N=C(/N)CCCI.
What is the InChIKey of 4-iodobutanimidamide?
The InChIKey is JVIRWUXJSCSCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9IN2/c5-3-1-2-4(6)7/h1-3H2,(H3,6,7).
What are the key properties of 4-iodobutanimidamide?
4-iodobutanimidamide has a molecular weight of 212.03 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodobutanimidamide is sourced from PubChem (CID 57272235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).