1-[(4-methylphenyl)methylideneamino]-2-[(E)-(4-methylphenyl)methylideneamino]guanidine

C17H19N5 — CID 11963576

IUPAC1-[(4-methylphenyl)methylideneamino]-2-[(E)-(4-methylphenyl)methylideneamino]guanidine
SMILESCc1ccc(C=NN/C(N)=N\N=C\c2ccc(C)cc2)cc1
InChIInChI=1S/C17H19N5/c1-13-3-7-15(8-4-13)11-19-21-17(18)22-20-12-16-9-5-14(2)6-10-16/h3-12H,1-2H3,(H3,18,21,22)/b19-11+,20-12?
InChIKeyGNXRPYNGMHPGPB-PFQZEBPQSA-N
MW293.37 g/mol
LogP2.58
Rot. Bonds4

About 1-[(4-methylphenyl)methylideneamino]-2-[(E)-(4-methylphenyl)methylideneamino]guanidine

1-[(4-methylphenyl)methylideneamino]-2-[(E)-(4-methylphenyl)methylideneamino]guanidine (PubChem CID 11963576) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methylideneamino]-2-[(E)-(4-methylphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name1-[(4-methylphenyl)methylideneamino]-2-[(E)-(4-methylphenyl)methylideneamino]guanidine
PubChem CID11963576
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name1-[(4-methylphenyl)methylideneamino]-2-[(E)-(4-methylphenyl)methylideneamino]guanidine
SMILESCc1ccc(C=NN/C(N)=N\N=C\c2ccc(C)cc2)cc1
InChIInChI=1S/C17H19N5/c1-13-3-7-15(8-4-13)11-19-21-17(18)22-20-12-16-9-5-14(2)6-10-16/h3-12H,1-2H3,(H3,18,21,22)/b19-11+,20-12?
InChIKeyGNXRPYNGMHPGPB-PFQZEBPQSA-N
XLogP2.58
TPSA75.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.58
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-chlorophenyl)methylideneamino]-2-[(E)-(4-chlorophenyl)methylideneamino]guanidine
CID 137091125
1,2-bis[(4-fluorophenyl)methylideneamino]guanidine
CID 2222853
1,2-bis[(E)-benzylideneamino]guanidine
CID 98427762
1,2-bis[(E)-(4-methoxyphenyl)methylideneamino]guanidine
CID 54753081
1-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(Z)-(4-methoxyphenyl)methylideneamino]guanidine
CID 119080623
1,2-bis[(E)-(4-chlorophenyl)methylideneamino]guanidine;hydrochloride
CID 172915818
1,2-bis[(Z)-(4-chlorophenyl)methylideneamino]guanidine;hydrochloride
CID 68813768
1,2-bis[(4-butylphenyl)methylideneamino]guanidine
CID 118918863
1,2-bis[(4-ethoxyphenyl)methylideneamino]guanidine;hydrochloride
CID 157053375
1-N',2-N'-bis[(Z)-(4-methylphenyl)methylideneamino]ethanediimidamide
CID 171376890
1-[(4-chlorophenyl)methylideneamino]-2-[(4-fluorophenyl)methylideneamino]guanidine
CID 123386434

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methylideneamino]-2-[(E)-(4-methylphenyl)methylideneamino]guanidine?
The IUPAC name of 1-[(4-methylphenyl)methylideneamino]-2-[(E)-(4-methylphenyl)methylideneamino]guanidine (CID 11963576) is 1-[(4-methylphenyl)methylideneamino]-2-[(E)-(4-methylphenyl)methylideneamino]guanidine.
What is the SMILES notation for 1-[(4-methylphenyl)methylideneamino]-2-[(E)-(4-methylphenyl)methylideneamino]guanidine?
The canonical SMILES for 1-[(4-methylphenyl)methylideneamino]-2-[(E)-(4-methylphenyl)methylideneamino]guanidine is Cc1ccc(C=NN/C(N)=N\N=C\c2ccc(C)cc2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methylideneamino]-2-[(E)-(4-methylphenyl)methylideneamino]guanidine?
The InChIKey is GNXRPYNGMHPGPB-PFQZEBPQSA-N. The full InChI is InChI=1S/C17H19N5/c1-13-3-7-15(8-4-13)11-19-21-17(18)22-20-12-16-9-5-14(2)6-10-16/h3-12H,1-2H3,(H3,18,21,22)/b19-11+,20-12?.
What are the key properties of 1-[(4-methylphenyl)methylideneamino]-2-[(E)-(4-methylphenyl)methylideneamino]guanidine?
1-[(4-methylphenyl)methylideneamino]-2-[(E)-(4-methylphenyl)methylideneamino]guanidine has a molecular weight of 293.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methylideneamino]-2-[(E)-(4-methylphenyl)methylideneamino]guanidine is sourced from PubChem (CID 11963576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).