2,2-dibromohexanimidamide

C6H12Br2N2 — CID 141071838

IUPAC2,2-dibromohexanimidamide
SMILES[H]/N=C(\N)C(Br)(Br)CCCC
InChIInChI=1S/C6H12Br2N2/c1-2-3-4-6(7,8)5(9)10/h2-4H2,1H3,(H3,9,10)
InChIKeyLXEQRYXSCJEQJE-UHFFFAOYSA-N
MW271.98 g/mol
LogP2.60
Rot. Bonds4

About 2,2-dibromohexanimidamide

2,2-dibromohexanimidamide (PubChem CID 141071838) has the molecular formula C6H12Br2N2 and a molecular weight of 271.98 g/mol. Its IUPAC name is 2,2-dibromohexanimidamide.

Molecular Properties

Compound Name2,2-dibromohexanimidamide
PubChem CID141071838
Molecular FormulaC6H12Br2N2
Molecular Weight271.98 g/mol
Exact Mass269.94
IUPAC Name2,2-dibromohexanimidamide
SMILES[H]/N=C(\N)C(Br)(Br)CCCC
InChIInChI=1S/C6H12Br2N2/c1-2-3-4-6(7,8)5(9)10/h2-4H2,1H3,(H3,9,10)
InChIKeyLXEQRYXSCJEQJE-UHFFFAOYSA-N
XLogP2.60
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.98
LogP ≤ 52.60
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'}

Analyze 2,2-dibromohexanimidamide 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 2,2-dibromohexanimidamide?
The IUPAC name of 2,2-dibromohexanimidamide (CID 141071838) is 2,2-dibromohexanimidamide.
What is the SMILES notation for 2,2-dibromohexanimidamide?
The canonical SMILES for 2,2-dibromohexanimidamide is [H]/N=C(\N)C(Br)(Br)CCCC.
What is the InChIKey of 2,2-dibromohexanimidamide?
The InChIKey is LXEQRYXSCJEQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Br2N2/c1-2-3-4-6(7,8)5(9)10/h2-4H2,1H3,(H3,9,10).
What are the key properties of 2,2-dibromohexanimidamide?
2,2-dibromohexanimidamide has a molecular weight of 271.98 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibromohexanimidamide is sourced from PubChem (CID 141071838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).