2-phenyl-1-[(E)-1-phenylethylideneamino]guanidine

C15H16N4 — CID 13451380

IUPAC2-phenyl-1-[(E)-1-phenylethylideneamino]guanidine
SMILESC/C(=N\N/C(N)=N/c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16N4/c1-12(13-8-4-2-5-9-13)18-19-15(16)17-14-10-6-3-7-11-14/h2-11H,1H3,(H3,16,17,19)/b18-12+
InChIKeyZRHUMZLVJJAHLA-LDADJPATSA-N
MW252.32 g/mol
LogP2.65
Rot. Bonds3

About 2-phenyl-1-[(E)-1-phenylethylideneamino]guanidine

2-phenyl-1-[(E)-1-phenylethylideneamino]guanidine (PubChem CID 13451380) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-phenyl-1-[(E)-1-phenylethylideneamino]guanidine.

Molecular Properties

Compound Name2-phenyl-1-[(E)-1-phenylethylideneamino]guanidine
PubChem CID13451380
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2-phenyl-1-[(E)-1-phenylethylideneamino]guanidine
SMILESC/C(=N\N/C(N)=N/c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16N4/c1-12(13-8-4-2-5-9-13)18-19-15(16)17-14-10-6-3-7-11-14/h2-11H,1H3,(H3,16,17,19)/b18-12+
InChIKeyZRHUMZLVJJAHLA-LDADJPATSA-N
XLogP2.65
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.65
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

1,2-bis(1-phenylethylideneamino)guanidine
CID 145026276
(1-phenylethylideneamino)thiourea
CID 912962
1-[(E)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-2-phenylguanidine
CID 10043892
1,2,3-tris(1-phenylethylideneamino)guanidine
CID 5226187
[(Z)-1-(4-phenylphenyl)ethylideneamino]thiourea
CID 5392292
N-[(Z)-1-phenylethylideneamino]cyclopropanecarboxamide
CID 5420065
1-chloro-3-[(E)-1-phenylethylideneamino]thiourea
CID 119086903
[(E)-1-(4-anilinophenyl)ethylideneamino]thiourea
CID 11737693
bis(methyl N-(1-phenylethylideneamino)carbamodithioate);palladium
CID 50912150
1-phenyl-3-[(Z)-1-phenylethylideneamino]urea
CID 5407235
ethane;N-[(Z)-1-phenylethylideneamino]aniline
CID 91599108
4-(C-methyl-N-phenylcarbonimidoyl)phenol
CID 135442227

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[(E)-1-phenylethylideneamino]guanidine?
The IUPAC name of 2-phenyl-1-[(E)-1-phenylethylideneamino]guanidine (CID 13451380) is 2-phenyl-1-[(E)-1-phenylethylideneamino]guanidine.
What is the SMILES notation for 2-phenyl-1-[(E)-1-phenylethylideneamino]guanidine?
The canonical SMILES for 2-phenyl-1-[(E)-1-phenylethylideneamino]guanidine is C/C(=N\N/C(N)=N/c1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenyl-1-[(E)-1-phenylethylideneamino]guanidine?
The InChIKey is ZRHUMZLVJJAHLA-LDADJPATSA-N. The full InChI is InChI=1S/C15H16N4/c1-12(13-8-4-2-5-9-13)18-19-15(16)17-14-10-6-3-7-11-14/h2-11H,1H3,(H3,16,17,19)/b18-12+.
What are the key properties of 2-phenyl-1-[(E)-1-phenylethylideneamino]guanidine?
2-phenyl-1-[(E)-1-phenylethylideneamino]guanidine has a molecular weight of 252.32 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[(E)-1-phenylethylideneamino]guanidine is sourced from PubChem (CID 13451380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).