1-N',2-N'-bis[(Z)-(4-methylphenyl)methylideneamino]ethanediimidamide

C18H20N6 — CID 171376890

IUPAC1-N',2-N'-bis[(Z)-(4-methylphenyl)methylideneamino]ethanediimidamide
SMILESCc1ccc(/C=N\N=C(N)\C(N)=N\N=C/c2ccc(C)cc2)cc1
InChIInChI=1S/C18H20N6/c1-13-3-7-15(8-4-13)11-21-23-17(19)18(20)24-22-12-16-9-5-14(2)6-10-16/h3-12H,1-2H3,(H2,19,23)(H2,20,24)/b21-11-,22-12-
InChIKeyCHDRVRUKPRQMLW-IINORCHSSA-N
MW320.40 g/mol
LogP2.39
Rot. Bonds4

About 1-N',2-N'-bis[(Z)-(4-methylphenyl)methylideneamino]ethanediimidamide

1-N',2-N'-bis[(Z)-(4-methylphenyl)methylideneamino]ethanediimidamide (PubChem CID 171376890) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-N',2-N'-bis[(Z)-(4-methylphenyl)methylideneamino]ethanediimidamide.

Molecular Properties

Compound Name1-N',2-N'-bis[(Z)-(4-methylphenyl)methylideneamino]ethanediimidamide
PubChem CID171376890
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name1-N',2-N'-bis[(Z)-(4-methylphenyl)methylideneamino]ethanediimidamide
SMILESCc1ccc(/C=N\N=C(N)\C(N)=N\N=C/c2ccc(C)cc2)cc1
InChIInChI=1S/C18H20N6/c1-13-3-7-15(8-4-13)11-21-23-17(19)18(20)24-22-12-16-9-5-14(2)6-10-16/h3-12H,1-2H3,(H2,19,23)(H2,20,24)/b21-11-,22-12-
InChIKeyCHDRVRUKPRQMLW-IINORCHSSA-N
XLogP2.39
TPSA101.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(4-methylphenyl)methylideneamino]-2-[(E)-(4-methylphenyl)methylideneamino]guanidine
CID 11963576
N-[4-[[(Z)-[(2Z)-2-[(4-acetamidophenyl)methylidenehydrazinylidene]-1,2-diaminoethylidene]hydrazinylidene]methyl]phenyl]acetamide
CID 131882450
2-[(E)-[4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl]methylideneamino]guanidine
CID 134157104
CID 172941482
CID 172941482
N-methyl-1-(4-methylphenyl)methanimine
CID 11208221
1-hydroxy-2-[(E)-(4-phenylphenyl)methylideneamino]guanidine;4-methylbenzenesulfonic acid
CID 139982830
N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide
CID 6248388
3-[4-[(diaminomethylidenehydrazinylidene)methyl]phenyl]prop-2-enoic acid
CID 54041306
(E)-N-[(E)-(4-methylphenyl)methylideneamino]-1-(4-nitrophenyl)ethanimine
CID 139599982
2-[(E)-[4-[4-[(E)-[(2-chloro-5-methylphenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]guanidine
CID 137394709
2-[(E)-(4-cyanophenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid
CID 54611166
[4-(4-methylphenyl)phenyl]methylidenehydrazine
CID 154945808

Frequently Asked Questions

What is the IUPAC name of 1-N',2-N'-bis[(Z)-(4-methylphenyl)methylideneamino]ethanediimidamide?
The IUPAC name of 1-N',2-N'-bis[(Z)-(4-methylphenyl)methylideneamino]ethanediimidamide (CID 171376890) is 1-N',2-N'-bis[(Z)-(4-methylphenyl)methylideneamino]ethanediimidamide.
What is the SMILES notation for 1-N',2-N'-bis[(Z)-(4-methylphenyl)methylideneamino]ethanediimidamide?
The canonical SMILES for 1-N',2-N'-bis[(Z)-(4-methylphenyl)methylideneamino]ethanediimidamide is Cc1ccc(/C=N\N=C(N)\C(N)=N\N=C/c2ccc(C)cc2)cc1.
What is the InChIKey of 1-N',2-N'-bis[(Z)-(4-methylphenyl)methylideneamino]ethanediimidamide?
The InChIKey is CHDRVRUKPRQMLW-IINORCHSSA-N. The full InChI is InChI=1S/C18H20N6/c1-13-3-7-15(8-4-13)11-21-23-17(19)18(20)24-22-12-16-9-5-14(2)6-10-16/h3-12H,1-2H3,(H2,19,23)(H2,20,24)/b21-11-,22-12-.
What are the key properties of 1-N',2-N'-bis[(Z)-(4-methylphenyl)methylideneamino]ethanediimidamide?
1-N',2-N'-bis[(Z)-(4-methylphenyl)methylideneamino]ethanediimidamide has a molecular weight of 320.40 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',2-N'-bis[(Z)-(4-methylphenyl)methylideneamino]ethanediimidamide is sourced from PubChem (CID 171376890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).