4-bromobutanimidamide;hydrochloride

C4H10BrClN2 — CID 46318427

IUPAC4-bromobutanimidamide;hydrochloride
SMILESCl.[H]/N=C(/N)CCCBr
InChIInChI=1S/C4H9BrN2.ClH/c5-3-1-2-4(6)7;/h1-3H2,(H3,6,7);1H
InChIKeyNPJVUFGORTZITM-UHFFFAOYSA-N
MW201.49 g/mol
LogP1.52
Rot. Bonds3

About 4-bromobutanimidamide;hydrochloride

4-bromobutanimidamide;hydrochloride (PubChem CID 46318427) has the molecular formula C4H10BrClN2 and a molecular weight of 201.49 g/mol. Its IUPAC name is 4-bromobutanimidamide;hydrochloride.

Molecular Properties

Compound Name4-bromobutanimidamide;hydrochloride
PubChem CID46318427
Molecular FormulaC4H10BrClN2
Molecular Weight201.49 g/mol
Exact Mass199.97
IUPAC Name4-bromobutanimidamide;hydrochloride
SMILESCl.[H]/N=C(/N)CCCBr
InChIInChI=1S/C4H9BrN2.ClH/c5-3-1-2-4(6)7;/h1-3H2,(H3,6,7);1H
InChIKeyNPJVUFGORTZITM-UHFFFAOYSA-N
XLogP1.52
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.49
LogP ≤ 51.52
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-bromobutanimidamide;hydrochloride?
The IUPAC name of 4-bromobutanimidamide;hydrochloride (CID 46318427) is 4-bromobutanimidamide;hydrochloride.
What is the SMILES notation for 4-bromobutanimidamide;hydrochloride?
The canonical SMILES for 4-bromobutanimidamide;hydrochloride is Cl.[H]/N=C(/N)CCCBr.
What is the InChIKey of 4-bromobutanimidamide;hydrochloride?
The InChIKey is NPJVUFGORTZITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9BrN2.ClH/c5-3-1-2-4(6)7;/h1-3H2,(H3,6,7);1H.
What are the key properties of 4-bromobutanimidamide;hydrochloride?
4-bromobutanimidamide;hydrochloride has a molecular weight of 201.49 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobutanimidamide;hydrochloride is sourced from PubChem (CID 46318427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).