2-tert-butyl-6-methanimidoyl-4-propan-2-ylphenol;N-cyclohexyl-1-(3,5-ditert-butylphenyl)methanimine

C35H54N2O — CID 144903145

IUPAC2-tert-butyl-6-methanimidoyl-4-propan-2-ylphenol;N-cyclohexyl-1-(3,5-ditert-butylphenyl)methanimine
SMILESCC(C)(C)c1cc(/C=N/C2CCCCC2)cc(C(C)(C)C)c1.[H]/N=C/c1cc(C(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C21H33N.C14H21NO/c1-20(2,3)17-12-16(13-18(14-17)21(4,5)6)15-22-19-10-8-7-9-11-19;1-9(2)10-6-11(8-15)13(16)12(7-10)14(3,4)5/h12-15,19H,7-11H2,1-6H3;6-9,15-16H,1-5H3/b22-15+;15-8+
InChIKeyZIRACOFGEYJWMU-ZVBZEWMZSA-N
MW518.83 g/mol
LogP9.84
Rot. Bonds4

About 2-tert-butyl-6-methanimidoyl-4-propan-2-ylphenol;N-cyclohexyl-1-(3,5-ditert-butylphenyl)methanimine

2-tert-butyl-6-methanimidoyl-4-propan-2-ylphenol;N-cyclohexyl-1-(3,5-ditert-butylphenyl)methanimine (PubChem CID 144903145) has the molecular formula C35H54N2O and a molecular weight of 518.83 g/mol. Its IUPAC name is 2-tert-butyl-6-methanimidoyl-4-propan-2-ylphenol;N-cyclohexyl-1-(3,5-ditert-butylphenyl)methanimine.

Molecular Properties

Compound Name2-tert-butyl-6-methanimidoyl-4-propan-2-ylphenol;N-cyclohexyl-1-(3,5-ditert-butylphenyl)methanimine
PubChem CID144903145
Molecular FormulaC35H54N2O
Molecular Weight518.83 g/mol
Exact Mass518.42
IUPAC Name2-tert-butyl-6-methanimidoyl-4-propan-2-ylphenol;N-cyclohexyl-1-(3,5-ditert-butylphenyl)methanimine
SMILESCC(C)(C)c1cc(/C=N/C2CCCCC2)cc(C(C)(C)C)c1.[H]/N=C/c1cc(C(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C21H33N.C14H21NO/c1-20(2,3)17-12-16(13-18(14-17)21(4,5)6)15-22-19-10-8-7-9-11-19;1-9(2)10-6-11(8-15)13(16)12(7-10)14(3,4)5/h12-15,19H,7-11H2,1-6H3;6-9,15-16H,1-5H3/b22-15+;15-8+
InChIKeyZIRACOFGEYJWMU-ZVBZEWMZSA-N
XLogP9.84
TPSA56.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.83
LogP ≤ 59.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-methanimidoyl-4-propan-2-ylphenol;N-cyclohexyl-1-(3,5-ditert-butylphenyl)methanimine?
The IUPAC name of 2-tert-butyl-6-methanimidoyl-4-propan-2-ylphenol;N-cyclohexyl-1-(3,5-ditert-butylphenyl)methanimine (CID 144903145) is 2-tert-butyl-6-methanimidoyl-4-propan-2-ylphenol;N-cyclohexyl-1-(3,5-ditert-butylphenyl)methanimine.
What is the SMILES notation for 2-tert-butyl-6-methanimidoyl-4-propan-2-ylphenol;N-cyclohexyl-1-(3,5-ditert-butylphenyl)methanimine?
The canonical SMILES for 2-tert-butyl-6-methanimidoyl-4-propan-2-ylphenol;N-cyclohexyl-1-(3,5-ditert-butylphenyl)methanimine is CC(C)(C)c1cc(/C=N/C2CCCCC2)cc(C(C)(C)C)c1.[H]/N=C/c1cc(C(C)C)cc(C(C)(C)C)c1O.
What is the InChIKey of 2-tert-butyl-6-methanimidoyl-4-propan-2-ylphenol;N-cyclohexyl-1-(3,5-ditert-butylphenyl)methanimine?
The InChIKey is ZIRACOFGEYJWMU-ZVBZEWMZSA-N. The full InChI is InChI=1S/C21H33N.C14H21NO/c1-20(2,3)17-12-16(13-18(14-17)21(4,5)6)15-22-19-10-8-7-9-11-19;1-9(2)10-6-11(8-15)13(16)12(7-10)14(3,4)5/h12-15,19H,7-11H2,1-6H3;6-9,15-16H,1-5H3/b22-15+;15-8+.
What are the key properties of 2-tert-butyl-6-methanimidoyl-4-propan-2-ylphenol;N-cyclohexyl-1-(3,5-ditert-butylphenyl)methanimine?
2-tert-butyl-6-methanimidoyl-4-propan-2-ylphenol;N-cyclohexyl-1-(3,5-ditert-butylphenyl)methanimine has a molecular weight of 518.83 g/mol, XLogP of 9.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-methanimidoyl-4-propan-2-ylphenol;N-cyclohexyl-1-(3,5-ditert-butylphenyl)methanimine is sourced from PubChem (CID 144903145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).