2-[(E)-(3,4-dibromophenyl)methylideneamino]guanidine

C8H8Br2N4 — CID 44542176

IUPAC2-[(E)-(3,4-dibromophenyl)methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1ccc(Br)c(Br)c1
InChIInChI=1S/C8H8Br2N4/c9-6-2-1-5(3-7(6)10)4-13-14-8(11)12/h1-4H,(H4,11,12,14)/b13-4+
InChIKeyVMYFCUKMGMFQNH-YIXHJXPBSA-N
MW319.99 g/mol
LogP1.82
Rot. Bonds2

About 2-[(E)-(3,4-dibromophenyl)methylideneamino]guanidine

2-[(E)-(3,4-dibromophenyl)methylideneamino]guanidine (PubChem CID 44542176) has the molecular formula C8H8Br2N4 and a molecular weight of 319.99 g/mol. Its IUPAC name is 2-[(E)-(3,4-dibromophenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-(3,4-dibromophenyl)methylideneamino]guanidine
PubChem CID44542176
Molecular FormulaC8H8Br2N4
Molecular Weight319.99 g/mol
Exact Mass317.91
IUPAC Name2-[(E)-(3,4-dibromophenyl)methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1ccc(Br)c(Br)c1
InChIInChI=1S/C8H8Br2N4/c9-6-2-1-5(3-7(6)10)4-13-14-8(11)12/h1-4H,(H4,11,12,14)/b13-4+
InChIKeyVMYFCUKMGMFQNH-YIXHJXPBSA-N
XLogP1.82
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.99
LogP ≤ 51.82
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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Related Compounds

2-[(3-bromo-4-fluorophenyl)methylideneamino]guanidine
CID 66841829
2-[[3-bromo-5-[(diaminomethylidenehydrazinylidene)methyl]phenyl]methylideneamino]guanidine
CID 140931951
acetic acid;2-[(E)-(4-bromo-3-nitrophenyl)methylideneamino]guanidine
CID 87175667
2-[(Z)-(3-bromo-4-nonoxyphenyl)methylideneamino]guanidine
CID 110533498
2-[(3-fluoro-4-hydroxyphenyl)methylideneamino]guanidine
CID 168592367
2-[(Z)-(4-hydroxy-3-methylphenyl)methylideneamino]guanidine
CID 143815352
2-[[4-(bromomethyl)-3-fluorophenyl]methylideneamino]guanidine
CID 168591296
2-[(E)-(4-bromo-3-fluorophenyl)methylideneamino]-1-hydroxyguanidine
CID 173023981
2-[(E)-[3-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]phenyl]methylideneamino]guanidine
CID 134136656
2-[(E)-(4-fluoro-3-methylphenyl)methylideneamino]guanidine;hydrochloride
CID 87880621
2-[(E)-benzylideneamino]guanidine;hydrobromide
CID 75485430
2-[(4-amino-3-cyanophenyl)methylideneamino]guanidine
CID 168591340

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(3,4-dibromophenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(E)-(3,4-dibromophenyl)methylideneamino]guanidine (CID 44542176) is 2-[(E)-(3,4-dibromophenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-(3,4-dibromophenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-(3,4-dibromophenyl)methylideneamino]guanidine is NC(N)=N/N=C/c1ccc(Br)c(Br)c1.
What is the InChIKey of 2-[(E)-(3,4-dibromophenyl)methylideneamino]guanidine?
The InChIKey is VMYFCUKMGMFQNH-YIXHJXPBSA-N. The full InChI is InChI=1S/C8H8Br2N4/c9-6-2-1-5(3-7(6)10)4-13-14-8(11)12/h1-4H,(H4,11,12,14)/b13-4+.
What are the key properties of 2-[(E)-(3,4-dibromophenyl)methylideneamino]guanidine?
2-[(E)-(3,4-dibromophenyl)methylideneamino]guanidine has a molecular weight of 319.99 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(3,4-dibromophenyl)methylideneamino]guanidine is sourced from PubChem (CID 44542176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).