4-N'-bromobutanediimidamide

C4H9BrN4 — CID 151621847

IUPAC4-N'-bromobutanediimidamide
SMILES[H]/N=C(\N)CCC(N)=NBr
InChIInChI=1S/C4H9BrN4/c5-9-4(8)2-1-3(6)7/h1-2H2,(H3,6,7)(H2,8,9)
InChIKeyQORHRDMTCCYCDB-UHFFFAOYSA-N
MW193.05 g/mol
LogP0.37
Rot. Bonds3

About 4-N'-bromobutanediimidamide

4-N'-bromobutanediimidamide (PubChem CID 151621847) has the molecular formula C4H9BrN4 and a molecular weight of 193.05 g/mol. Its IUPAC name is 4-N'-bromobutanediimidamide.

Molecular Properties

Compound Name4-N'-bromobutanediimidamide
PubChem CID151621847
Molecular FormulaC4H9BrN4
Molecular Weight193.05 g/mol
Exact Mass192.00
IUPAC Name4-N'-bromobutanediimidamide
SMILES[H]/N=C(\N)CCC(N)=NBr
InChIInChI=1S/C4H9BrN4/c5-9-4(8)2-1-3(6)7/h1-2H2,(H3,6,7)(H2,8,9)
InChIKeyQORHRDMTCCYCDB-UHFFFAOYSA-N
XLogP0.37
TPSA88.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.05
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-N'-bromobutanediimidamide?
The IUPAC name of 4-N'-bromobutanediimidamide (CID 151621847) is 4-N'-bromobutanediimidamide.
What is the SMILES notation for 4-N'-bromobutanediimidamide?
The canonical SMILES for 4-N'-bromobutanediimidamide is [H]/N=C(\N)CCC(N)=NBr.
What is the InChIKey of 4-N'-bromobutanediimidamide?
The InChIKey is QORHRDMTCCYCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9BrN4/c5-9-4(8)2-1-3(6)7/h1-2H2,(H3,6,7)(H2,8,9).
What are the key properties of 4-N'-bromobutanediimidamide?
4-N'-bromobutanediimidamide has a molecular weight of 193.05 g/mol, XLogP of 0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N'-bromobutanediimidamide is sourced from PubChem (CID 151621847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).