2-tert-butyl-6-[[[(1R,2R)-2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]cyclohexyl]-ethylamino]methyl]-4-methylphenol

C32H48N2O2 — CID 136883588

IUPAC2-tert-butyl-6-[[[(1R,2R)-2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]cyclohexyl]-ethylamino]methyl]-4-methylphenol
SMILESCCN(Cc1cc(C)cc(C(C)(C)C)c1O)[C@@H]1CCCC[C@H]1/N=C/c1cc(C)cc(C(C)(C)C)c1O
InChIInChI=1S/C32H48N2O2/c1-10-34(20-24-16-22(3)18-26(30(24)36)32(7,8)9)28-14-12-11-13-27(28)33-19-23-15-21(2)17-25(29(23)35)31(4,5)6/h15-19,27-28,35-36H,10-14,20H2,1-9H3/b33-19+/t27-,28-/m1/s1
InChIKeyDYWVIRIIGCILRS-GGFGSRELSA-N
MW492.75 g/mol
LogP7.56
Rot. Bonds6

About 2-tert-butyl-6-[[[(1R,2R)-2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]cyclohexyl]-ethylamino]methyl]-4-methylphenol

2-tert-butyl-6-[[[(1R,2R)-2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]cyclohexyl]-ethylamino]methyl]-4-methylphenol (PubChem CID 136883588) has the molecular formula C32H48N2O2 and a molecular weight of 492.75 g/mol. Its IUPAC name is 2-tert-butyl-6-[[[(1R,2R)-2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]cyclohexyl]-ethylamino]methyl]-4-methylphenol.

Molecular Properties

Compound Name2-tert-butyl-6-[[[(1R,2R)-2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]cyclohexyl]-ethylamino]methyl]-4-methylphenol
PubChem CID136883588
Molecular FormulaC32H48N2O2
Molecular Weight492.75 g/mol
Exact Mass492.37
IUPAC Name2-tert-butyl-6-[[[(1R,2R)-2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]cyclohexyl]-ethylamino]methyl]-4-methylphenol
SMILESCCN(Cc1cc(C)cc(C(C)(C)C)c1O)[C@@H]1CCCC[C@H]1/N=C/c1cc(C)cc(C(C)(C)C)c1O
InChIInChI=1S/C32H48N2O2/c1-10-34(20-24-16-22(3)18-26(30(24)36)32(7,8)9)28-14-12-11-13-27(28)33-19-23-15-21(2)17-25(29(23)35)31(4,5)6/h15-19,27-28,35-36H,10-14,20H2,1-9H3/b33-19+/t27-,28-/m1/s1
InChIKeyDYWVIRIIGCILRS-GGFGSRELSA-N
XLogP7.56
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.75
LogP ≤ 57.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-tert-butyl-6-[[[(1R,2R)-2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]cyclohexyl]-ethylamino]methyl]-4-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R,R)-Jacobsen's catalyst
CID 73602790
2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;manganese;chloride
CID 136385762
2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;manganese;chloride
CID 136882207
2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate;manganese;hydrochloride
CID 176450531
4,4'-(1-Methylethylidene)bis(2,6-bis((dimethylamino)methyl)phenol
CID 167520
4-Tert-butyl-2-(((5-tert-butyl-2-hydroxybenzyl)(cyclohexyl)amino)methyl)phenol
CID 241052
4,4'-(1,4-Piperazinediylbis(methylene))bis(2,6-bis(1,1-dimethylethyl)phenol
CID 201461
(R,R)-(-)-N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamine
CID 2733339
4-[(4-Benzylpiperazin-1-yl)methyl]-2,6-di-tert-butylphenol
CID 1134102
6,6'-((Ethane-1,2-diylbis(azaneylylidene))bis(methaneylylidene))bis(2,4-di-tert-butylphenol)
CID 1897040
(R,R)-(-)-N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediaminocobalt(II)
CID 135407637
(S,S)-(+)-N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamine
CID 135415899

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[[[(1R,2R)-2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]cyclohexyl]-ethylamino]methyl]-4-methylphenol?
The IUPAC name of 2-tert-butyl-6-[[[(1R,2R)-2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]cyclohexyl]-ethylamino]methyl]-4-methylphenol (CID 136883588) is 2-tert-butyl-6-[[[(1R,2R)-2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]cyclohexyl]-ethylamino]methyl]-4-methylphenol.
What is the SMILES notation for 2-tert-butyl-6-[[[(1R,2R)-2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]cyclohexyl]-ethylamino]methyl]-4-methylphenol?
The canonical SMILES for 2-tert-butyl-6-[[[(1R,2R)-2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]cyclohexyl]-ethylamino]methyl]-4-methylphenol is CCN(Cc1cc(C)cc(C(C)(C)C)c1O)[C@@H]1CCCC[C@H]1/N=C/c1cc(C)cc(C(C)(C)C)c1O.
What is the InChIKey of 2-tert-butyl-6-[[[(1R,2R)-2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]cyclohexyl]-ethylamino]methyl]-4-methylphenol?
The InChIKey is DYWVIRIIGCILRS-GGFGSRELSA-N. The full InChI is InChI=1S/C32H48N2O2/c1-10-34(20-24-16-22(3)18-26(30(24)36)32(7,8)9)28-14-12-11-13-27(28)33-19-23-15-21(2)17-25(29(23)35)31(4,5)6/h15-19,27-28,35-36H,10-14,20H2,1-9H3/b33-19+/t27-,28-/m1/s1.
What are the key properties of 2-tert-butyl-6-[[[(1R,2R)-2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]cyclohexyl]-ethylamino]methyl]-4-methylphenol?
2-tert-butyl-6-[[[(1R,2R)-2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]cyclohexyl]-ethylamino]methyl]-4-methylphenol has a molecular weight of 492.75 g/mol, XLogP of 7.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[[[(1R,2R)-2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]cyclohexyl]-ethylamino]methyl]-4-methylphenol is sourced from PubChem (CID 136883588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).