4-N'-iodobutanediimidamide

C4H9IN4 — CID 152737407

IUPAC4-N'-iodobutanediimidamide
SMILES[H]/N=C(\N)CCC(N)=NI
InChIInChI=1S/C4H9IN4/c5-9-4(8)2-1-3(6)7/h1-2H2,(H3,6,7)(H2,8,9)
InChIKeyZYWVZINVJXROMG-UHFFFAOYSA-N
MW240.05 g/mol
LogP0.41
Rot. Bonds3

About 4-N'-iodobutanediimidamide

4-N'-iodobutanediimidamide (PubChem CID 152737407) has the molecular formula C4H9IN4 and a molecular weight of 240.05 g/mol. Its IUPAC name is 4-N'-iodobutanediimidamide.

Molecular Properties

Compound Name4-N'-iodobutanediimidamide
PubChem CID152737407
Molecular FormulaC4H9IN4
Molecular Weight240.05 g/mol
Exact Mass239.99
IUPAC Name4-N'-iodobutanediimidamide
SMILES[H]/N=C(\N)CCC(N)=NI
InChIInChI=1S/C4H9IN4/c5-9-4(8)2-1-3(6)7/h1-2H2,(H3,6,7)(H2,8,9)
InChIKeyZYWVZINVJXROMG-UHFFFAOYSA-N
XLogP0.41
TPSA88.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.05
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-N'-iodobutanediimidamide 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-N'-iodobutanediimidamide?
The IUPAC name of 4-N'-iodobutanediimidamide (CID 152737407) is 4-N'-iodobutanediimidamide.
What is the SMILES notation for 4-N'-iodobutanediimidamide?
The canonical SMILES for 4-N'-iodobutanediimidamide is [H]/N=C(\N)CCC(N)=NI.
What is the InChIKey of 4-N'-iodobutanediimidamide?
The InChIKey is ZYWVZINVJXROMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9IN4/c5-9-4(8)2-1-3(6)7/h1-2H2,(H3,6,7)(H2,8,9).
What are the key properties of 4-N'-iodobutanediimidamide?
4-N'-iodobutanediimidamide has a molecular weight of 240.05 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N'-iodobutanediimidamide is sourced from PubChem (CID 152737407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).