2-[(E)-benzylideneamino]guanidine;hydrobromide

C8H11BrN4 — CID 75485430

IUPAC2-[(E)-benzylideneamino]guanidine;hydrobromide
SMILESBr.NC(N)=N/N=C/c1ccccc1
InChIInChI=1S/C8H10N4.BrH/c9-8(10)12-11-6-7-4-2-1-3-5-7;/h1-6H,(H4,9,10,12);1H/b11-6+;
InChIKeyRMCLIUDVKGWIPU-ICSBZGNSSA-N
MW243.11 g/mol
LogP0.87
Rot. Bonds2

About 2-[(E)-benzylideneamino]guanidine;hydrobromide

2-[(E)-benzylideneamino]guanidine;hydrobromide (PubChem CID 75485430) has the molecular formula C8H11BrN4 and a molecular weight of 243.11 g/mol. Its IUPAC name is 2-[(E)-benzylideneamino]guanidine;hydrobromide.

Molecular Properties

Compound Name2-[(E)-benzylideneamino]guanidine;hydrobromide
PubChem CID75485430
Molecular FormulaC8H11BrN4
Molecular Weight243.11 g/mol
Exact Mass242.02
IUPAC Name2-[(E)-benzylideneamino]guanidine;hydrobromide
SMILESBr.NC(N)=N/N=C/c1ccccc1
InChIInChI=1S/C8H10N4.BrH/c9-8(10)12-11-6-7-4-2-1-3-5-7;/h1-6H,(H4,9,10,12);1H/b11-6+;
InChIKeyRMCLIUDVKGWIPU-ICSBZGNSSA-N
XLogP0.87
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.11
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-benzylideneamino]guanidine;hydrobromide?
The IUPAC name of 2-[(E)-benzylideneamino]guanidine;hydrobromide (CID 75485430) is 2-[(E)-benzylideneamino]guanidine;hydrobromide.
What is the SMILES notation for 2-[(E)-benzylideneamino]guanidine;hydrobromide?
The canonical SMILES for 2-[(E)-benzylideneamino]guanidine;hydrobromide is Br.NC(N)=N/N=C/c1ccccc1.
What is the InChIKey of 2-[(E)-benzylideneamino]guanidine;hydrobromide?
The InChIKey is RMCLIUDVKGWIPU-ICSBZGNSSA-N. The full InChI is InChI=1S/C8H10N4.BrH/c9-8(10)12-11-6-7-4-2-1-3-5-7;/h1-6H,(H4,9,10,12);1H/b11-6+;.
What are the key properties of 2-[(E)-benzylideneamino]guanidine;hydrobromide?
2-[(E)-benzylideneamino]guanidine;hydrobromide has a molecular weight of 243.11 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-benzylideneamino]guanidine;hydrobromide is sourced from PubChem (CID 75485430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).