1-hydroxy-2-[(E)-2-(2,4,6-trimethylphenoxy)ethylideneamino]guanidine

C12H18N4O2 — CID 14816049

IUPAC1-hydroxy-2-[(E)-2-(2,4,6-trimethylphenoxy)ethylideneamino]guanidine
SMILESCc1cc(C)c(OC/C=N/N=C(\N)NO)c(C)c1
InChIInChI=1S/C12H18N4O2/c1-8-6-9(2)11(10(3)7-8)18-5-4-14-15-12(13)16-17/h4,6-7,17H,5H2,1-3H3,(H3,13,15,16)/b14-4+
InChIKeyBWBXZQXPVFNLTK-LNKIKWGQSA-N
MW250.30 g/mol
LogP1.27
Rot. Bonds4

About 1-hydroxy-2-[(E)-2-(2,4,6-trimethylphenoxy)ethylideneamino]guanidine

1-hydroxy-2-[(E)-2-(2,4,6-trimethylphenoxy)ethylideneamino]guanidine (PubChem CID 14816049) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-hydroxy-2-[(E)-2-(2,4,6-trimethylphenoxy)ethylideneamino]guanidine.

Molecular Properties

Compound Name1-hydroxy-2-[(E)-2-(2,4,6-trimethylphenoxy)ethylideneamino]guanidine
PubChem CID14816049
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-hydroxy-2-[(E)-2-(2,4,6-trimethylphenoxy)ethylideneamino]guanidine
SMILESCc1cc(C)c(OC/C=N/N=C(\N)NO)c(C)c1
InChIInChI=1S/C12H18N4O2/c1-8-6-9(2)11(10(3)7-8)18-5-4-14-15-12(13)16-17/h4,6-7,17H,5H2,1-3H3,(H3,13,15,16)/b14-4+
InChIKeyBWBXZQXPVFNLTK-LNKIKWGQSA-N
XLogP1.27
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.27
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-[(E)-2-(2,4,6-trimethylphenoxy)ethylideneamino]guanidine?
The IUPAC name of 1-hydroxy-2-[(E)-2-(2,4,6-trimethylphenoxy)ethylideneamino]guanidine (CID 14816049) is 1-hydroxy-2-[(E)-2-(2,4,6-trimethylphenoxy)ethylideneamino]guanidine.
What is the SMILES notation for 1-hydroxy-2-[(E)-2-(2,4,6-trimethylphenoxy)ethylideneamino]guanidine?
The canonical SMILES for 1-hydroxy-2-[(E)-2-(2,4,6-trimethylphenoxy)ethylideneamino]guanidine is Cc1cc(C)c(OC/C=N/N=C(\N)NO)c(C)c1.
What is the InChIKey of 1-hydroxy-2-[(E)-2-(2,4,6-trimethylphenoxy)ethylideneamino]guanidine?
The InChIKey is BWBXZQXPVFNLTK-LNKIKWGQSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-6-9(2)11(10(3)7-8)18-5-4-14-15-12(13)16-17/h4,6-7,17H,5H2,1-3H3,(H3,13,15,16)/b14-4+.
What are the key properties of 1-hydroxy-2-[(E)-2-(2,4,6-trimethylphenoxy)ethylideneamino]guanidine?
1-hydroxy-2-[(E)-2-(2,4,6-trimethylphenoxy)ethylideneamino]guanidine has a molecular weight of 250.30 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-[(E)-2-(2,4,6-trimethylphenoxy)ethylideneamino]guanidine is sourced from PubChem (CID 14816049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).