2,2-dibromopropanimidamide;dihydrochloride

C3H8Br2Cl2N2 — CID 71777001

IUPAC2,2-dibromopropanimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)C(C)(Br)Br
InChIInChI=1S/C3H6Br2N2.2ClH/c1-3(4,5)2(6)7;;/h1H3,(H3,6,7);2*1H
InChIKeyUSGJOMXLZPPHKY-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.27
Rot. Bonds1

About 2,2-dibromopropanimidamide;dihydrochloride

2,2-dibromopropanimidamide;dihydrochloride (PubChem CID 71777001) has the molecular formula C3H8Br2Cl2N2 and a molecular weight of 302.83 g/mol. Its IUPAC name is 2,2-dibromopropanimidamide;dihydrochloride.

Molecular Properties

Compound Name2,2-dibromopropanimidamide;dihydrochloride
PubChem CID71777001
Molecular FormulaC3H8Br2Cl2N2
Molecular Weight302.83 g/mol
Exact Mass299.84
IUPAC Name2,2-dibromopropanimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)C(C)(Br)Br
InChIInChI=1S/C3H6Br2N2.2ClH/c1-3(4,5)2(6)7;;/h1H3,(H3,6,7);2*1H
InChIKeyUSGJOMXLZPPHKY-UHFFFAOYSA-N
XLogP2.27
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.27
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-dibromopropanimidamide;dihydrochloride 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-dibromopropanimidamide;dihydrochloride?
The IUPAC name of 2,2-dibromopropanimidamide;dihydrochloride (CID 71777001) is 2,2-dibromopropanimidamide;dihydrochloride.
What is the SMILES notation for 2,2-dibromopropanimidamide;dihydrochloride?
The canonical SMILES for 2,2-dibromopropanimidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)C(C)(Br)Br.
What is the InChIKey of 2,2-dibromopropanimidamide;dihydrochloride?
The InChIKey is USGJOMXLZPPHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6Br2N2.2ClH/c1-3(4,5)2(6)7;;/h1H3,(H3,6,7);2*1H.
What are the key properties of 2,2-dibromopropanimidamide;dihydrochloride?
2,2-dibromopropanimidamide;dihydrochloride has a molecular weight of 302.83 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibromopropanimidamide;dihydrochloride is sourced from PubChem (CID 71777001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).