1,2-bis[(E)-benzylideneamino]guanidine

C15H15N5 — CID 98427762

IUPAC1,2-bis[(E)-benzylideneamino]guanidine
SMILESNC(=N/N=C/c1ccccc1)N/N=C/c1ccccc1
InChIInChI=1S/C15H15N5/c16-15(19-17-11-13-7-3-1-4-8-13)20-18-12-14-9-5-2-6-10-14/h1-12H,(H3,16,19,20)/b17-11+,18-12+
InChIKeyZWLXITGRGUNARS-JYFOCSDGSA-N
MW265.32 g/mol
LogP1.96
Rot. Bonds4

About 1,2-bis[(E)-benzylideneamino]guanidine

1,2-bis[(E)-benzylideneamino]guanidine (PubChem CID 98427762) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 1,2-bis[(E)-benzylideneamino]guanidine.

Molecular Properties

Compound Name1,2-bis[(E)-benzylideneamino]guanidine
PubChem CID98427762
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name1,2-bis[(E)-benzylideneamino]guanidine
SMILESNC(=N/N=C/c1ccccc1)N/N=C/c1ccccc1
InChIInChI=1S/C15H15N5/c16-15(19-17-11-13-7-3-1-4-8-13)20-18-12-14-9-5-2-6-10-14/h1-12H,(H3,16,19,20)/b17-11+,18-12+
InChIKeyZWLXITGRGUNARS-JYFOCSDGSA-N
XLogP1.96
TPSA75.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1,2-bis[(Z)-(4-bromophenyl)methylideneamino]guanidine
CID 6778167
1-[(4-methylphenyl)methylideneamino]-2-[(E)-(4-methylphenyl)methylideneamino]guanidine
CID 11963576
1-[(4-chlorophenyl)methylideneamino]-2-[(E)-(4-chlorophenyl)methylideneamino]guanidine
CID 137091125
1,2-bis[(4-fluorophenyl)methylideneamino]guanidine
CID 2222853
1,2-bis[(Z)-(4-chlorophenyl)methylideneamino]guanidine;hydrochloride
CID 68813768
1,2-bis[(E)-(4-chlorophenyl)methylideneamino]guanidine;hydrochloride
CID 172915818
1,2-bis[(E)-pyridin-3-ylmethylideneamino]guanidine
CID 6913986
3-[[[(E)-N'-[(3-carboxyphenyl)methylideneamino]carbamimidoyl]hydrazinylidene]methyl]benzoic acid
CID 118918902
1,2-bis[(E)-(4-methoxyphenyl)methylideneamino]guanidine
CID 54753081
1-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(Z)-(4-methoxyphenyl)methylideneamino]guanidine
CID 119080623
1-[(4-chlorophenyl)methylideneamino]-2-[(4-fluorophenyl)methylideneamino]guanidine
CID 123386434
1,2-bis[(E)-(3-methoxyphenyl)methylideneamino]guanidine;hydrochloride
CID 86279917

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(E)-benzylideneamino]guanidine?
The IUPAC name of 1,2-bis[(E)-benzylideneamino]guanidine (CID 98427762) is 1,2-bis[(E)-benzylideneamino]guanidine.
What is the SMILES notation for 1,2-bis[(E)-benzylideneamino]guanidine?
The canonical SMILES for 1,2-bis[(E)-benzylideneamino]guanidine is NC(=N/N=C/c1ccccc1)N/N=C/c1ccccc1.
What is the InChIKey of 1,2-bis[(E)-benzylideneamino]guanidine?
The InChIKey is ZWLXITGRGUNARS-JYFOCSDGSA-N. The full InChI is InChI=1S/C15H15N5/c16-15(19-17-11-13-7-3-1-4-8-13)20-18-12-14-9-5-2-6-10-14/h1-12H,(H3,16,19,20)/b17-11+,18-12+.
What are the key properties of 1,2-bis[(E)-benzylideneamino]guanidine?
1,2-bis[(E)-benzylideneamino]guanidine has a molecular weight of 265.32 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(E)-benzylideneamino]guanidine is sourced from PubChem (CID 98427762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).