2-[(E)-1-(4-phenylphenyl)ethylideneamino]guanidine;hydrochloride

C15H17ClN4 — CID 54612215

IUPAC2-[(E)-1-(4-phenylphenyl)ethylideneamino]guanidine;hydrochloride
SMILESC/C(=N\N=C(N)N)c1ccc(-c2ccccc2)cc1.Cl
InChIInChI=1S/C15H16N4.ClH/c1-11(18-19-15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13;/h2-10H,1H3,(H4,16,17,19);1H/b18-11+;
InChIKeyNSQJWCKHXKXELA-NWBUNABESA-N
MW288.78 g/mol
LogP2.77
Rot. Bonds3

About 2-[(E)-1-(4-phenylphenyl)ethylideneamino]guanidine;hydrochloride

2-[(E)-1-(4-phenylphenyl)ethylideneamino]guanidine;hydrochloride (PubChem CID 54612215) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-[(E)-1-(4-phenylphenyl)ethylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(E)-1-(4-phenylphenyl)ethylideneamino]guanidine;hydrochloride
PubChem CID54612215
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name2-[(E)-1-(4-phenylphenyl)ethylideneamino]guanidine;hydrochloride
SMILESC/C(=N\N=C(N)N)c1ccc(-c2ccccc2)cc1.Cl
InChIInChI=1S/C15H16N4.ClH/c1-11(18-19-15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13;/h2-10H,1H3,(H4,16,17,19);1H/b18-11+;
InChIKeyNSQJWCKHXKXELA-NWBUNABESA-N
XLogP2.77
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.77
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)-1-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]ethylideneamino]guanidine;hydrochloride
CID 45261938
2-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]guanidine
CID 9017548
CID 127025281
CID 127025281
[(Z)-1-(4-phenylphenyl)ethylideneamino]thiourea
CID 5392292
2-[(E)-1-pyridin-4-ylethylideneamino]guanidine
CID 15857248
2-[(Z)-1-(4-formylphenyl)ethylideneamino]guanidine
CID 89086080
[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]thiourea;hydrochloride
CID 54600853
2-[(Z)-1-[3-[3,5-bis[(Z)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]ethylideneamino]guanidine
CID 176917440
1-[4-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-3-[4-[N-(diaminomethylideneamino)-C-phenylcarbonimidoyl]phenyl]urea
CID 74390808
1-[4-[(Z)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-3-[4-[(Z)-N-(diaminomethylideneamino)-C-phenylcarbonimidoyl]phenyl]urea
CID 123506865
1-carbamimidoyl-1-[4-[(Z)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]guanidine;dihydrochloride
CID 24832561
1,2-bis(1-phenylethylideneamino)guanidine
CID 145026276

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-(4-phenylphenyl)ethylideneamino]guanidine;hydrochloride?
The IUPAC name of 2-[(E)-1-(4-phenylphenyl)ethylideneamino]guanidine;hydrochloride (CID 54612215) is 2-[(E)-1-(4-phenylphenyl)ethylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(E)-1-(4-phenylphenyl)ethylideneamino]guanidine;hydrochloride?
The canonical SMILES for 2-[(E)-1-(4-phenylphenyl)ethylideneamino]guanidine;hydrochloride is C/C(=N\N=C(N)N)c1ccc(-c2ccccc2)cc1.Cl.
What is the InChIKey of 2-[(E)-1-(4-phenylphenyl)ethylideneamino]guanidine;hydrochloride?
The InChIKey is NSQJWCKHXKXELA-NWBUNABESA-N. The full InChI is InChI=1S/C15H16N4.ClH/c1-11(18-19-15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13;/h2-10H,1H3,(H4,16,17,19);1H/b18-11+;.
What are the key properties of 2-[(E)-1-(4-phenylphenyl)ethylideneamino]guanidine;hydrochloride?
2-[(E)-1-(4-phenylphenyl)ethylideneamino]guanidine;hydrochloride has a molecular weight of 288.78 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-(4-phenylphenyl)ethylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 54612215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).