4-bromobutanimidamide

C4H9BrN2 — CID 4059690

IUPAC4-bromobutanimidamide
SMILES[H]/N=C(/N)CCCBr
InChIInChI=1S/C4H9BrN2/c5-3-1-2-4(6)7/h1-3H2,(H3,6,7)
InChIKeyZQGFRZZBIGYRTK-UHFFFAOYSA-N
MW165.03 g/mol
LogP1.10
Rot. Bonds3

About 4-bromobutanimidamide

4-bromobutanimidamide (PubChem CID 4059690) has the molecular formula C4H9BrN2 and a molecular weight of 165.03 g/mol. Its IUPAC name is 4-bromobutanimidamide.

Molecular Properties

Compound Name4-bromobutanimidamide
PubChem CID4059690
Molecular FormulaC4H9BrN2
Molecular Weight165.03 g/mol
Exact Mass163.99
IUPAC Name4-bromobutanimidamide
SMILES[H]/N=C(/N)CCCBr
InChIInChI=1S/C4H9BrN2/c5-3-1-2-4(6)7/h1-3H2,(H3,6,7)
InChIKeyZQGFRZZBIGYRTK-UHFFFAOYSA-N
XLogP1.10
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.03
LogP ≤ 51.10
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?
The IUPAC name of 4-bromobutanimidamide (CID 4059690) is 4-bromobutanimidamide.
What is the SMILES notation for 4-bromobutanimidamide?
The canonical SMILES for 4-bromobutanimidamide is [H]/N=C(/N)CCCBr.
What is the InChIKey of 4-bromobutanimidamide?
The InChIKey is ZQGFRZZBIGYRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9BrN2/c5-3-1-2-4(6)7/h1-3H2,(H3,6,7).
What are the key properties of 4-bromobutanimidamide?
4-bromobutanimidamide has a molecular weight of 165.03 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobutanimidamide is sourced from PubChem (CID 4059690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).