3,5-ditert-butyl-N',4-dihydroxybenzenecarboximidamide

C15H24N2O2 — CID 135699520

IUPAC3,5-ditert-butyl-N',4-dihydroxybenzenecarboximidamide
SMILESCC(C)(C)c1cc(/C(N)=N/O)cc(C(C)(C)C)c1O
InChIInChI=1S/C15H24N2O2/c1-14(2,3)10-7-9(13(16)17-19)8-11(12(10)18)15(4,5)6/h7-8,18-19H,1-6H3,(H2,16,17)
InChIKeyJRYOPRGSHOUFDG-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.08
Rot. Bonds1

About 3,5-ditert-butyl-N',4-dihydroxybenzenecarboximidamide

3,5-ditert-butyl-N',4-dihydroxybenzenecarboximidamide (PubChem CID 135699520) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3,5-ditert-butyl-N',4-dihydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3,5-ditert-butyl-N',4-dihydroxybenzenecarboximidamide
PubChem CID135699520
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3,5-ditert-butyl-N',4-dihydroxybenzenecarboximidamide
SMILESCC(C)(C)c1cc(/C(N)=N/O)cc(C(C)(C)C)c1O
InChIInChI=1S/C15H24N2O2/c1-14(2,3)10-7-9(13(16)17-19)8-11(12(10)18)15(4,5)6/h7-8,18-19H,1-6H3,(H2,16,17)
InChIKeyJRYOPRGSHOUFDG-UHFFFAOYSA-N
XLogP3.08
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.08
H-Bond Donors ≤ 53
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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Related Compounds

2,6-ditert-butyl-4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol;hydrochloride
CID 175666737
2,6-ditert-butyl-4-(1-hydroxyethenyl)phenol
CID 143396007
3,5-dibromo-N',4-dihydroxybenzenecarboximidamide
CID 135922656
lithium 3,5-ditert-butyl-4-hydroxybenzoate
CID 139788661
3-tert-butyl-4-hydroxy-5-methylbenzamide
CID 139649291
5-tert-butyl-N'-hydroxypyridine-3-carboximidamide
CID 122198369
1,8-bis(3,5-ditert-butyl-4-hydroxyphenyl)octane-1,8-dione
CID 74763904
2,6-ditert-butyl-4-(2,2-diaminoethenyl)phenol
CID 88941839
N',4-dihydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 136967966
(3,5-ditert-butyl-4-hydroxyphenyl)iminourea
CID 4637687
2,6-ditert-butyl-4-methylphenol;methanol
CID 161478470
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670

Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-N',4-dihydroxybenzenecarboximidamide?
The IUPAC name of 3,5-ditert-butyl-N',4-dihydroxybenzenecarboximidamide (CID 135699520) is 3,5-ditert-butyl-N',4-dihydroxybenzenecarboximidamide.
What is the SMILES notation for 3,5-ditert-butyl-N',4-dihydroxybenzenecarboximidamide?
The canonical SMILES for 3,5-ditert-butyl-N',4-dihydroxybenzenecarboximidamide is CC(C)(C)c1cc(/C(N)=N/O)cc(C(C)(C)C)c1O.
What is the InChIKey of 3,5-ditert-butyl-N',4-dihydroxybenzenecarboximidamide?
The InChIKey is JRYOPRGSHOUFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-14(2,3)10-7-9(13(16)17-19)8-11(12(10)18)15(4,5)6/h7-8,18-19H,1-6H3,(H2,16,17).
What are the key properties of 3,5-ditert-butyl-N',4-dihydroxybenzenecarboximidamide?
3,5-ditert-butyl-N',4-dihydroxybenzenecarboximidamide has a molecular weight of 264.37 g/mol, XLogP of 3.08, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-N',4-dihydroxybenzenecarboximidamide is sourced from PubChem (CID 135699520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).