4,4-diiodobutanimidamide

C4H8I2N2 — CID 57304657

IUPAC4,4-diiodobutanimidamide
SMILES[H]/N=C(\N)CCC(I)I
InChIInChI=1S/C4H8I2N2/c5-3(6)1-2-4(7)8/h3H,1-2H2,(H3,7,8)
InChIKeyFMBQETZXRLNMET-UHFFFAOYSA-N
MW337.93 g/mol
LogP1.90
Rot. Bonds3

About 4,4-diiodobutanimidamide

4,4-diiodobutanimidamide (PubChem CID 57304657) has the molecular formula C4H8I2N2 and a molecular weight of 337.93 g/mol. Its IUPAC name is 4,4-diiodobutanimidamide.

Molecular Properties

Compound Name4,4-diiodobutanimidamide
PubChem CID57304657
Molecular FormulaC4H8I2N2
Molecular Weight337.93 g/mol
Exact Mass337.88
IUPAC Name4,4-diiodobutanimidamide
SMILES[H]/N=C(\N)CCC(I)I
InChIInChI=1S/C4H8I2N2/c5-3(6)1-2-4(7)8/h3H,1-2H2,(H3,7,8)
InChIKeyFMBQETZXRLNMET-UHFFFAOYSA-N
XLogP1.90
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.93
LogP ≤ 51.90
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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Related Compounds

butanediimidamide;dihydrochloride
CID 88614640
5-hydroxy-4-methylpentanimidamide
CID 91614670
5,5-dihydroxypentanimidamide
CID 87612742
5,5-dibromopentanimidamide
CID 57012710
ethyl 5-amino-2-carbamimidoyl-5-iminopentanoate
CID 141469692
octadecanediimidamide;dihydrochloride
CID 24741615
3-chloropropanimidamide
CID 4174774
3-hydroxypropanimidamide;hydrochloride
CID 22004099
3-aminopropanimidamide;hydrobromide
CID 12715904
5-amino-5-imino-2-propan-2-ylpentanoic acid
CID 161485989
4-propoxypentanimidamide
CID 158121909
3-(3-methylbutan-2-ylsulfanyl)propanimidamide
CID 107750260

Frequently Asked Questions

What is the IUPAC name of 4,4-diiodobutanimidamide?
The IUPAC name of 4,4-diiodobutanimidamide (CID 57304657) is 4,4-diiodobutanimidamide.
What is the SMILES notation for 4,4-diiodobutanimidamide?
The canonical SMILES for 4,4-diiodobutanimidamide is [H]/N=C(\N)CCC(I)I.
What is the InChIKey of 4,4-diiodobutanimidamide?
The InChIKey is FMBQETZXRLNMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8I2N2/c5-3(6)1-2-4(7)8/h3H,1-2H2,(H3,7,8).
What are the key properties of 4,4-diiodobutanimidamide?
4,4-diiodobutanimidamide has a molecular weight of 337.93 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diiodobutanimidamide is sourced from PubChem (CID 57304657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).