2-[(E)-1-(4-ethylphenyl)ethylideneamino]guanidine

C11H16N4 — CID 6344338

IUPAC2-[(E)-1-(4-ethylphenyl)ethylideneamino]guanidine
SMILESCCc1ccc(/C(C)=N/N=C(N)N)cc1
InChIInChI=1S/C11H16N4/c1-3-9-4-6-10(7-5-9)8(2)14-15-11(12)13/h4-7H,3H2,1-2H3,(H4,12,13,15)/b14-8+
InChIKeyQKHBRIZCDXTKKN-RIYZIHGNSA-N
MW204.28 g/mol
LogP1.25
Rot. Bonds3

About 2-[(E)-1-(4-ethylphenyl)ethylideneamino]guanidine

2-[(E)-1-(4-ethylphenyl)ethylideneamino]guanidine (PubChem CID 6344338) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 2-[(E)-1-(4-ethylphenyl)ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-1-(4-ethylphenyl)ethylideneamino]guanidine
PubChem CID6344338
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name2-[(E)-1-(4-ethylphenyl)ethylideneamino]guanidine
SMILESCCc1ccc(/C(C)=N/N=C(N)N)cc1
InChIInChI=1S/C11H16N4/c1-3-9-4-6-10(7-5-9)8(2)14-15-11(12)13/h4-7H,3H2,1-2H3,(H4,12,13,15)/b14-8+
InChIKeyQKHBRIZCDXTKKN-RIYZIHGNSA-N
XLogP1.25
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.25
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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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-(4-ethylphenyl)ethylideneamino]guanidine?
The IUPAC name of 2-[(E)-1-(4-ethylphenyl)ethylideneamino]guanidine (CID 6344338) is 2-[(E)-1-(4-ethylphenyl)ethylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-1-(4-ethylphenyl)ethylideneamino]guanidine?
The canonical SMILES for 2-[(E)-1-(4-ethylphenyl)ethylideneamino]guanidine is CCc1ccc(/C(C)=N/N=C(N)N)cc1.
What is the InChIKey of 2-[(E)-1-(4-ethylphenyl)ethylideneamino]guanidine?
The InChIKey is QKHBRIZCDXTKKN-RIYZIHGNSA-N. The full InChI is InChI=1S/C11H16N4/c1-3-9-4-6-10(7-5-9)8(2)14-15-11(12)13/h4-7H,3H2,1-2H3,(H4,12,13,15)/b14-8+.
What are the key properties of 2-[(E)-1-(4-ethylphenyl)ethylideneamino]guanidine?
2-[(E)-1-(4-ethylphenyl)ethylideneamino]guanidine has a molecular weight of 204.28 g/mol, XLogP of 1.25, 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-ethylphenyl)ethylideneamino]guanidine is sourced from PubChem (CID 6344338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).