2-[(E)-[(E)-1-(4-methylphenyl)-3-phenylprop-2-enylidene]amino]guanidine;hydrochloride

C17H19ClN4 — CID 73347457

IUPAC2-[(E)-[(E)-1-(4-methylphenyl)-3-phenylprop-2-enylidene]amino]guanidine;hydrochloride
SMILESCc1ccc(C(/C=C/c2ccccc2)=N/N=C(N)N)cc1.Cl
InChIInChI=1S/C17H18N4.ClH/c1-13-7-10-15(11-8-13)16(20-21-17(18)19)12-9-14-5-3-2-4-6-14;/h2-12H,1H3,(H4,18,19,21);1H/b12-9+,20-16+;
InChIKeyRPHAHGPEIHLZNN-JNDFZVOESA-N
MW314.82 g/mol
LogP3.11
Rot. Bonds4

About 2-[(E)-[(E)-1-(4-methylphenyl)-3-phenylprop-2-enylidene]amino]guanidine;hydrochloride

2-[(E)-[(E)-1-(4-methylphenyl)-3-phenylprop-2-enylidene]amino]guanidine;hydrochloride (PubChem CID 73347457) has the molecular formula C17H19ClN4 and a molecular weight of 314.82 g/mol. Its IUPAC name is 2-[(E)-[(E)-1-(4-methylphenyl)-3-phenylprop-2-enylidene]amino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(E)-[(E)-1-(4-methylphenyl)-3-phenylprop-2-enylidene]amino]guanidine;hydrochloride
PubChem CID73347457
Molecular FormulaC17H19ClN4
Molecular Weight314.82 g/mol
Exact Mass314.13
IUPAC Name2-[(E)-[(E)-1-(4-methylphenyl)-3-phenylprop-2-enylidene]amino]guanidine;hydrochloride
SMILESCc1ccc(C(/C=C/c2ccccc2)=N/N=C(N)N)cc1.Cl
InChIInChI=1S/C17H18N4.ClH/c1-13-7-10-15(11-8-13)16(20-21-17(18)19)12-9-14-5-3-2-4-6-14;/h2-12H,1H3,(H4,18,19,21);1H/b12-9+,20-16+;
InChIKeyRPHAHGPEIHLZNN-JNDFZVOESA-N
XLogP3.11
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.11
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

Diphenylmethylidenehydrazine
CID 79304
2-(1-Phenylethylidene)hydrazinecarboximidamide
CID 5916478
Diphenylethanedione dihydrazone
CID 5356523
1-Phenylethanone 2-(1-phenylethylidene)hydrazone
CID 95250
Ethanone, 1-phenyl-, 2-(1-phenylethylidene)hydrazone
CID 5367154
Benzophenone imine
CID 136809
2-[(E)-1-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]ethylideneamino]guanidine
CID 9573034
2-[[(4-Fluorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine
CID 29893
2,2-Dimethyl-4,5-diphenyl-2h-imidazole
CID 247140
2-[1-(4-Methylphenyl)ethylideneamino]guanidine
CID 2831841
2-[(E)-1-[7-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-9H-fluoren-2-yl]ethylideneamino]guanidine;dihydrochloride
CID 12896968
2-[(E)-[3-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]phenyl]methylideneamino]guanidine;dihydrochloride
CID 134136655

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(E)-1-(4-methylphenyl)-3-phenylprop-2-enylidene]amino]guanidine;hydrochloride?
The IUPAC name of 2-[(E)-[(E)-1-(4-methylphenyl)-3-phenylprop-2-enylidene]amino]guanidine;hydrochloride (CID 73347457) is 2-[(E)-[(E)-1-(4-methylphenyl)-3-phenylprop-2-enylidene]amino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(E)-[(E)-1-(4-methylphenyl)-3-phenylprop-2-enylidene]amino]guanidine;hydrochloride?
The canonical SMILES for 2-[(E)-[(E)-1-(4-methylphenyl)-3-phenylprop-2-enylidene]amino]guanidine;hydrochloride is Cc1ccc(C(/C=C/c2ccccc2)=N/N=C(N)N)cc1.Cl.
What is the InChIKey of 2-[(E)-[(E)-1-(4-methylphenyl)-3-phenylprop-2-enylidene]amino]guanidine;hydrochloride?
The InChIKey is RPHAHGPEIHLZNN-JNDFZVOESA-N. The full InChI is InChI=1S/C17H18N4.ClH/c1-13-7-10-15(11-8-13)16(20-21-17(18)19)12-9-14-5-3-2-4-6-14;/h2-12H,1H3,(H4,18,19,21);1H/b12-9+,20-16+;.
What are the key properties of 2-[(E)-[(E)-1-(4-methylphenyl)-3-phenylprop-2-enylidene]amino]guanidine;hydrochloride?
2-[(E)-[(E)-1-(4-methylphenyl)-3-phenylprop-2-enylidene]amino]guanidine;hydrochloride has a molecular weight of 314.82 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(E)-1-(4-methylphenyl)-3-phenylprop-2-enylidene]amino]guanidine;hydrochloride is sourced from PubChem (CID 73347457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).