5,5-dibromopentanimidamide

C5H10Br2N2 — CID 57012710

IUPAC5,5-dibromopentanimidamide
SMILES[H]/N=C(\N)CCCC(Br)Br
InChIInChI=1S/C5H10Br2N2/c6-4(7)2-1-3-5(8)9/h4H,1-3H2,(H3,8,9)
InChIKeyKYHFPSFTINUECD-UHFFFAOYSA-N
MW257.96 g/mol
LogP2.21
Rot. Bonds4

About 5,5-dibromopentanimidamide

5,5-dibromopentanimidamide (PubChem CID 57012710) has the molecular formula C5H10Br2N2 and a molecular weight of 257.96 g/mol. Its IUPAC name is 5,5-dibromopentanimidamide.

Molecular Properties

Compound Name5,5-dibromopentanimidamide
PubChem CID57012710
Molecular FormulaC5H10Br2N2
Molecular Weight257.96 g/mol
Exact Mass255.92
IUPAC Name5,5-dibromopentanimidamide
SMILES[H]/N=C(\N)CCCC(Br)Br
InChIInChI=1S/C5H10Br2N2/c6-4(7)2-1-3-5(8)9/h4H,1-3H2,(H3,8,9)
InChIKeyKYHFPSFTINUECD-UHFFFAOYSA-N
XLogP2.21
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.96
LogP ≤ 52.21
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 5,5-dibromopentanimidamide?
The IUPAC name of 5,5-dibromopentanimidamide (CID 57012710) is 5,5-dibromopentanimidamide.
What is the SMILES notation for 5,5-dibromopentanimidamide?
The canonical SMILES for 5,5-dibromopentanimidamide is [H]/N=C(\N)CCCC(Br)Br.
What is the InChIKey of 5,5-dibromopentanimidamide?
The InChIKey is KYHFPSFTINUECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10Br2N2/c6-4(7)2-1-3-5(8)9/h4H,1-3H2,(H3,8,9).
What are the key properties of 5,5-dibromopentanimidamide?
5,5-dibromopentanimidamide has a molecular weight of 257.96 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dibromopentanimidamide is sourced from PubChem (CID 57012710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).