4,4-dibromobutanimidamide

C4H8Br2N2 — CID 57211052

IUPAC4,4-dibromobutanimidamide
SMILES[H]/N=C(\N)CCC(Br)Br
InChIInChI=1S/C4H8Br2N2/c5-3(6)1-2-4(7)8/h3H,1-2H2,(H3,7,8)
InChIKeySGZPEOYJPADMRJ-UHFFFAOYSA-N
MW243.93 g/mol
LogP1.82
Rot. Bonds3

About 4,4-dibromobutanimidamide

4,4-dibromobutanimidamide (PubChem CID 57211052) has the molecular formula C4H8Br2N2 and a molecular weight of 243.93 g/mol. Its IUPAC name is 4,4-dibromobutanimidamide.

Molecular Properties

Compound Name4,4-dibromobutanimidamide
PubChem CID57211052
Molecular FormulaC4H8Br2N2
Molecular Weight243.93 g/mol
Exact Mass241.91
IUPAC Name4,4-dibromobutanimidamide
SMILES[H]/N=C(\N)CCC(Br)Br
InChIInChI=1S/C4H8Br2N2/c5-3(6)1-2-4(7)8/h3H,1-2H2,(H3,7,8)
InChIKeySGZPEOYJPADMRJ-UHFFFAOYSA-N
XLogP1.82
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.93
LogP ≤ 51.82
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'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dibromobutanimidamide?
The IUPAC name of 4,4-dibromobutanimidamide (CID 57211052) is 4,4-dibromobutanimidamide.
What is the SMILES notation for 4,4-dibromobutanimidamide?
The canonical SMILES for 4,4-dibromobutanimidamide is [H]/N=C(\N)CCC(Br)Br.
What is the InChIKey of 4,4-dibromobutanimidamide?
The InChIKey is SGZPEOYJPADMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Br2N2/c5-3(6)1-2-4(7)8/h3H,1-2H2,(H3,7,8).
What are the key properties of 4,4-dibromobutanimidamide?
4,4-dibromobutanimidamide has a molecular weight of 243.93 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dibromobutanimidamide is sourced from PubChem (CID 57211052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).