2-[(E)-(4-ethylphenyl)methylideneamino]guanidine;hydrochloride

C10H15ClN4 — CID 87880634

IUPAC2-[(E)-(4-ethylphenyl)methylideneamino]guanidine;hydrochloride
SMILESCCc1ccc(/C=N/N=C(N)N)cc1.Cl
InChIInChI=1S/C10H14N4.ClH/c1-2-8-3-5-9(6-4-8)7-13-14-10(11)12;/h3-7H,2H2,1H3,(H4,11,12,14);1H/b13-7+;
InChIKeyVYKAYKPGYCMYNX-FTPOTTDRSA-N
MW226.71 g/mol
LogP1.28
Rot. Bonds3

About 2-[(E)-(4-ethylphenyl)methylideneamino]guanidine;hydrochloride

2-[(E)-(4-ethylphenyl)methylideneamino]guanidine;hydrochloride (PubChem CID 87880634) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-[(E)-(4-ethylphenyl)methylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(E)-(4-ethylphenyl)methylideneamino]guanidine;hydrochloride
PubChem CID87880634
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name2-[(E)-(4-ethylphenyl)methylideneamino]guanidine;hydrochloride
SMILESCCc1ccc(/C=N/N=C(N)N)cc1.Cl
InChIInChI=1S/C10H14N4.ClH/c1-2-8-3-5-9(6-4-8)7-13-14-10(11)12;/h3-7H,2H2,1H3,(H4,11,12,14);1H/b13-7+;
InChIKeyVYKAYKPGYCMYNX-FTPOTTDRSA-N
XLogP1.28
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.28
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

2-[(E)-(4-octylphenyl)methylideneamino]guanidine
CID 166950257
2-[[4-(methylsulfonylmethyl)phenyl]methylideneamino]guanidine
CID 168591897
4-amino-N'-[(4-ethylphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 43834602
3-[4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]phenyl]propanoic acid
CID 5474676
2-[(E)-(4-phenylphenyl)methylideneamino]guanidine;hydrochloride
CID 87880611
(2E)-2-(diaminomethylidenehydrazinylidene)-N-(4-ethylphenyl)acetamide
CID 45481384
2-[(E)-[4-(dibutylamino)phenyl]methylideneamino]guanidine
CID 87880623
2-[(E)-benzylideneamino]guanidine;hydrobromide
CID 75485430
2-[[4-(1,1-difluoroethyl)phenyl]methylideneamino]guanidine
CID 168591146
benzyl N'-[[4-(4-ethylphenoxy)phenyl]methylideneamino]carbamimidothioate
CID 168613640
4-[(E)-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline
CID 172917579
4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]benzoic acid
CID 5356929

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(4-ethylphenyl)methylideneamino]guanidine;hydrochloride?
The IUPAC name of 2-[(E)-(4-ethylphenyl)methylideneamino]guanidine;hydrochloride (CID 87880634) is 2-[(E)-(4-ethylphenyl)methylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(E)-(4-ethylphenyl)methylideneamino]guanidine;hydrochloride?
The canonical SMILES for 2-[(E)-(4-ethylphenyl)methylideneamino]guanidine;hydrochloride is CCc1ccc(/C=N/N=C(N)N)cc1.Cl.
What is the InChIKey of 2-[(E)-(4-ethylphenyl)methylideneamino]guanidine;hydrochloride?
The InChIKey is VYKAYKPGYCMYNX-FTPOTTDRSA-N. The full InChI is InChI=1S/C10H14N4.ClH/c1-2-8-3-5-9(6-4-8)7-13-14-10(11)12;/h3-7H,2H2,1H3,(H4,11,12,14);1H/b13-7+;.
What are the key properties of 2-[(E)-(4-ethylphenyl)methylideneamino]guanidine;hydrochloride?
2-[(E)-(4-ethylphenyl)methylideneamino]guanidine;hydrochloride has a molecular weight of 226.71 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(4-ethylphenyl)methylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 87880634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).