4-tert-butyl-N'-hydroxy-2,6-dimethylbenzenecarboximidamide

C13H20N2O — CID 82494160

IUPAC4-tert-butyl-N'-hydroxy-2,6-dimethylbenzenecarboximidamide
SMILESCc1cc(C(C)(C)C)cc(C)c1/C(N)=N/O
InChIInChI=1S/C13H20N2O/c1-8-6-10(13(3,4)5)7-9(2)11(8)12(14)15-16/h6-7,16H,1-5H3,(H2,14,15)
InChIKeyWKCWQIODALMEPV-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.70
Rot. Bonds1

About 4-tert-butyl-N'-hydroxy-2,6-dimethylbenzenecarboximidamide

4-tert-butyl-N'-hydroxy-2,6-dimethylbenzenecarboximidamide (PubChem CID 82494160) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-tert-butyl-N'-hydroxy-2,6-dimethylbenzenecarboximidamide.

Molecular Properties

Compound Name4-tert-butyl-N'-hydroxy-2,6-dimethylbenzenecarboximidamide
PubChem CID82494160
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-tert-butyl-N'-hydroxy-2,6-dimethylbenzenecarboximidamide
SMILESCc1cc(C(C)(C)C)cc(C)c1/C(N)=N/O
InChIInChI=1S/C13H20N2O/c1-8-6-10(13(3,4)5)7-9(2)11(8)12(14)15-16/h6-7,16H,1-5H3,(H2,14,15)
InChIKeyWKCWQIODALMEPV-UHFFFAOYSA-N
XLogP2.70
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.70
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': '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 4-tert-butyl-N'-hydroxy-2,6-dimethylbenzenecarboximidamide?
The IUPAC name of 4-tert-butyl-N'-hydroxy-2,6-dimethylbenzenecarboximidamide (CID 82494160) is 4-tert-butyl-N'-hydroxy-2,6-dimethylbenzenecarboximidamide.
What is the SMILES notation for 4-tert-butyl-N'-hydroxy-2,6-dimethylbenzenecarboximidamide?
The canonical SMILES for 4-tert-butyl-N'-hydroxy-2,6-dimethylbenzenecarboximidamide is Cc1cc(C(C)(C)C)cc(C)c1/C(N)=N/O.
What is the InChIKey of 4-tert-butyl-N'-hydroxy-2,6-dimethylbenzenecarboximidamide?
The InChIKey is WKCWQIODALMEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-8-6-10(13(3,4)5)7-9(2)11(8)12(14)15-16/h6-7,16H,1-5H3,(H2,14,15).
What are the key properties of 4-tert-butyl-N'-hydroxy-2,6-dimethylbenzenecarboximidamide?
4-tert-butyl-N'-hydroxy-2,6-dimethylbenzenecarboximidamide has a molecular weight of 220.32 g/mol, XLogP of 2.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N'-hydroxy-2,6-dimethylbenzenecarboximidamide is sourced from PubChem (CID 82494160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).