N'-amino-2-(2,4,6-trimethylphenoxy)ethanimidamide

C11H17N3O — CID 116820383

IUPACN'-amino-2-(2,4,6-trimethylphenoxy)ethanimidamide
SMILESCc1cc(C)c(OC/C(N)=N/N)c(C)c1
InChIInChI=1S/C11H17N3O/c1-7-4-8(2)11(9(3)5-7)15-6-10(12)14-13/h4-5H,6,13H2,1-3H3,(H2,12,14)
InChIKeyYHSLPSUYNYSKGG-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.22
Rot. Bonds3

About N'-amino-2-(2,4,6-trimethylphenoxy)ethanimidamide

N'-amino-2-(2,4,6-trimethylphenoxy)ethanimidamide (PubChem CID 116820383) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N'-amino-2-(2,4,6-trimethylphenoxy)ethanimidamide.

Molecular Properties

Compound NameN'-amino-2-(2,4,6-trimethylphenoxy)ethanimidamide
PubChem CID116820383
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN'-amino-2-(2,4,6-trimethylphenoxy)ethanimidamide
SMILESCc1cc(C)c(OC/C(N)=N/N)c(C)c1
InChIInChI=1S/C11H17N3O/c1-7-4-8(2)11(9(3)5-7)15-6-10(12)14-13/h4-5H,6,13H2,1-3H3,(H2,12,14)
InChIKeyYHSLPSUYNYSKGG-UHFFFAOYSA-N
XLogP1.22
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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-(2,4,6-trimethylphenoxy)ethanimidamide;hydrochloride
CID 134110059
N'-amino-2-(3,5-dimethylphenyl)ethanimidamide
CID 76947129
N'-amino-2-methoxy-3,5-dimethylbenzenecarboximidamide
CID 83531039
5-(2,4,6-trimethylphenoxy)pentanethioamide
CID 54966598
2,2-dimethyl-3-(2,4,6-trimethylphenoxy)propanethioamide
CID 82087771
1-(4-methylphenyl)-2-(2,4,6-trimethylphenoxy)ethanone
CID 63566170
2-(2,4,6-trimethylphenoxy)-1-[4-[2-(2,4,6-trimethylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 1281511
1,3-bis(2,4,6-trimethylphenoxy)propan-2-ol
CID 121215502
2-methyl-4-(2,4,6-trimethylphenoxy)butan-2-ol
CID 79360580
N-(2-amino-2-methylpropyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 119628968
2-(2,6-dimethyl-4-sulfamoylphenoxy)acetamide
CID 82911999
1-hydroxy-2-[(E)-2-(2,4,6-trimethylphenoxy)ethylideneamino]guanidine
CID 14816049

Frequently Asked Questions

What is the IUPAC name of N'-amino-2-(2,4,6-trimethylphenoxy)ethanimidamide?
The IUPAC name of N'-amino-2-(2,4,6-trimethylphenoxy)ethanimidamide (CID 116820383) is N'-amino-2-(2,4,6-trimethylphenoxy)ethanimidamide.
What is the SMILES notation for N'-amino-2-(2,4,6-trimethylphenoxy)ethanimidamide?
The canonical SMILES for N'-amino-2-(2,4,6-trimethylphenoxy)ethanimidamide is Cc1cc(C)c(OC/C(N)=N/N)c(C)c1.
What is the InChIKey of N'-amino-2-(2,4,6-trimethylphenoxy)ethanimidamide?
The InChIKey is YHSLPSUYNYSKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7-4-8(2)11(9(3)5-7)15-6-10(12)14-13/h4-5H,6,13H2,1-3H3,(H2,12,14).
What are the key properties of N'-amino-2-(2,4,6-trimethylphenoxy)ethanimidamide?
N'-amino-2-(2,4,6-trimethylphenoxy)ethanimidamide has a molecular weight of 207.28 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-2-(2,4,6-trimethylphenoxy)ethanimidamide is sourced from PubChem (CID 116820383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).