N'-hydroxy-2-[1-[(2,3,6-trimethylphenoxy)methyl]cyclopropyl]ethanimidamide

C15H22N2O2 — CID 77071143

IUPACN'-hydroxy-2-[1-[(2,3,6-trimethylphenoxy)methyl]cyclopropyl]ethanimidamide
SMILESCc1ccc(C)c(OCC2(CC(N)=NO)CC2)c1C
InChIInChI=1S/C15H22N2O2/c1-10-4-5-11(2)14(12(10)3)19-9-15(6-7-15)8-13(16)17-18/h4-5,18H,6-9H2,1-3H3,(H2,16,17)
InChIKeyIHFKXPKNYBZXBH-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.91
Rot. Bonds5

About N'-hydroxy-2-[1-[(2,3,6-trimethylphenoxy)methyl]cyclopropyl]ethanimidamide

N'-hydroxy-2-[1-[(2,3,6-trimethylphenoxy)methyl]cyclopropyl]ethanimidamide (PubChem CID 77071143) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[(2,3,6-trimethylphenoxy)methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[(2,3,6-trimethylphenoxy)methyl]cyclopropyl]ethanimidamide
PubChem CID77071143
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN'-hydroxy-2-[1-[(2,3,6-trimethylphenoxy)methyl]cyclopropyl]ethanimidamide
SMILESCc1ccc(C)c(OCC2(CC(N)=NO)CC2)c1C
InChIInChI=1S/C15H22N2O2/c1-10-4-5-11(2)14(12(10)3)19-9-15(6-7-15)8-13(16)17-18/h4-5,18H,6-9H2,1-3H3,(H2,16,17)
InChIKeyIHFKXPKNYBZXBH-UHFFFAOYSA-N
XLogP2.91
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 N'-hydroxy-2-[1-[(2,3,6-trimethylphenoxy)methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[(2,3,6-trimethylphenoxy)methyl]cyclopropyl]ethanimidamide (CID 77071143) is N'-hydroxy-2-[1-[(2,3,6-trimethylphenoxy)methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[(2,3,6-trimethylphenoxy)methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[(2,3,6-trimethylphenoxy)methyl]cyclopropyl]ethanimidamide is Cc1ccc(C)c(OCC2(CC(N)=NO)CC2)c1C.
What is the InChIKey of N'-hydroxy-2-[1-[(2,3,6-trimethylphenoxy)methyl]cyclopropyl]ethanimidamide?
The InChIKey is IHFKXPKNYBZXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-4-5-11(2)14(12(10)3)19-9-15(6-7-15)8-13(16)17-18/h4-5,18H,6-9H2,1-3H3,(H2,16,17).
What are the key properties of N'-hydroxy-2-[1-[(2,3,6-trimethylphenoxy)methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[(2,3,6-trimethylphenoxy)methyl]cyclopropyl]ethanimidamide has a molecular weight of 262.35 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-[(2,3,6-trimethylphenoxy)methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 77071143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).