2-[(E)-[3-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]phenyl]methylideneamino]guanidine

C16H18N8 — CID 134136656

IUPAC2-[(E)-[3-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]phenyl]methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1ccc(-c2cccc(/C=N/N=C(N)N)c2)cc1
InChIInChI=1S/C16H18N8/c17-15(18)23-21-9-11-4-6-13(7-5-11)14-3-1-2-12(8-14)10-22-24-16(19)20/h1-10H,(H4,17,18,23)(H4,19,20,24)/b21-9+,22-10+
InChIKeyASAFZZGZCWCAQQ-VGENTYGXSA-N
MW322.38 g/mol
LogP0.57
Rot. Bonds5

About 2-[(E)-[3-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]phenyl]methylideneamino]guanidine

2-[(E)-[3-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]phenyl]methylideneamino]guanidine (PubChem CID 134136656) has the molecular formula C16H18N8 and a molecular weight of 322.38 g/mol. Its IUPAC name is 2-[(E)-[3-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-[3-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]phenyl]methylideneamino]guanidine
PubChem CID134136656
Molecular FormulaC16H18N8
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name2-[(E)-[3-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]phenyl]methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1ccc(-c2cccc(/C=N/N=C(N)N)c2)cc1
InChIInChI=1S/C16H18N8/c17-15(18)23-21-9-11-4-6-13(7-5-11)14-3-1-2-12(8-14)10-22-24-16(19)20/h1-10H,(H4,17,18,23)(H4,19,20,24)/b21-9+,22-10+
InChIKeyASAFZZGZCWCAQQ-VGENTYGXSA-N
XLogP0.57
TPSA153.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 50.57
H-Bond Donors ≤ 54
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

2-[(E)-(4-phenylphenyl)methylideneamino]guanidine;hydrochloride
CID 87880611
2-[[3-(3-fluorophenyl)phenyl]methylideneamino]guanidine
CID 168590584
2-[(E)-benzylideneamino]guanidine;hydrobromide
CID 75485430
2-[[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]guanidine
CID 168591423
2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]guanidine;hydrochloride
CID 86278990
2-[(E)-(3,4-dibromophenyl)methylideneamino]guanidine
CID 44542176
2-[(4-methoxy-3-phenylphenyl)methylideneamino]guanidine
CID 168591706
2-[(3-ethoxyphenyl)methylideneamino]guanidine
CID 76880079
2-[[3-(4-aminophenoxy)phenyl]methylideneamino]guanidine
CID 168591305
2-[(3-fluoro-4-hydroxyphenyl)methylideneamino]guanidine
CID 168592367
2-[(Z)-(4-hydroxy-3-methylphenyl)methylideneamino]guanidine
CID 143815352
4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]benzoic acid
CID 5356929

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[3-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[(E)-[3-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]phenyl]methylideneamino]guanidine (CID 134136656) is 2-[(E)-[3-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-[3-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-[3-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]phenyl]methylideneamino]guanidine is NC(N)=N/N=C/c1ccc(-c2cccc(/C=N/N=C(N)N)c2)cc1.
What is the InChIKey of 2-[(E)-[3-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]phenyl]methylideneamino]guanidine?
The InChIKey is ASAFZZGZCWCAQQ-VGENTYGXSA-N. The full InChI is InChI=1S/C16H18N8/c17-15(18)23-21-9-11-4-6-13(7-5-11)14-3-1-2-12(8-14)10-22-24-16(19)20/h1-10H,(H4,17,18,23)(H4,19,20,24)/b21-9+,22-10+.
What are the key properties of 2-[(E)-[3-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]phenyl]methylideneamino]guanidine?
2-[(E)-[3-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]phenyl]methylideneamino]guanidine has a molecular weight of 322.38 g/mol, XLogP of 0.57, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[3-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]phenyl]methylideneamino]guanidine is sourced from PubChem (CID 134136656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).