2-[[2-[[2-hydroxy-3-methyl-5-(3-methylpentan-3-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-(3-methylpentan-3-yl)phenol

C34H50N2O2 — CID 158335728

About 2-[[2-[[2-hydroxy-3-methyl-5-(3-methylpentan-3-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-(3-methylpentan-3-yl)phenol

2-[[2-[[2-hydroxy-3-methyl-5-(3-methylpentan-3-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-(3-methylpentan-3-yl)phenol (PubChem CID 158335728) has the molecular formula C34H50N2O2 and a molecular weight of 518.79 g/mol. Its IUPAC name is 2-[[2-[[2-hydroxy-3-methyl-5-(3-methylpentan-3-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-(3-methylpentan-3-yl)phenol.

Molecular Properties

• Compound Name: 2-[[2-[[2-hydroxy-3-methyl-5-(3-methylpentan-3-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-(3-methylpentan-3-yl)phenol
• PubChem CID: 158335728
• Molecular Formula: C34H50N2O2
• Molecular Weight: 518.79 g/mol
• Exact Mass: 518.39
• IUPAC Name: 2-[[2-[[2-hydroxy-3-methyl-5-(3-methylpentan-3-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-(3-methylpentan-3-yl)phenol
• SMILES: CCC(C)(CC)c1cc(C)c(O)c(/C=N/C2CCCCC2/N=C/c2cc(C(C)(CC)CC)cc(C)c2O)c1
• InChI: InChI=1S/C34H50N2O2/c1-9-33(7,10-2)27-17-23(5)31(37)25(19-27)21-35-29-15-13-14-16-30(29)36-22-26-20-28(18-24(6)32(26)38)34(8,11-3)12-4/h17-22,29-30,37-38H,9-16H2,1-8H3/b35-21+,36-22+
• InChIKey: BDVSTKBPUYVFHQ-JTOYJDTJSA-N
• XLogP: 8.72
• TPSA: 65.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.79
LogP ≤ 5	8.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-hydroxy-3-methyl-5-(3-methylpentan-3-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-(3-methylpentan-3-yl)phenol?

The IUPAC name of 2-[[2-[[2-hydroxy-3-methyl-5-(3-methylpentan-3-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-(3-methylpentan-3-yl)phenol (CID 158335728) is 2-[[2-[[2-hydroxy-3-methyl-5-(3-methylpentan-3-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-(3-methylpentan-3-yl)phenol.

What is the SMILES notation for 2-[[2-[[2-hydroxy-3-methyl-5-(3-methylpentan-3-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-(3-methylpentan-3-yl)phenol?

The canonical SMILES for 2-[[2-[[2-hydroxy-3-methyl-5-(3-methylpentan-3-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-(3-methylpentan-3-yl)phenol is CCC(C)(CC)c1cc(C)c(O)c(/C=N/C2CCCCC2/N=C/c2cc(C(C)(CC)CC)cc(C)c2O)c1.

What is the InChIKey of 2-[[2-[[2-hydroxy-3-methyl-5-(3-methylpentan-3-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-(3-methylpentan-3-yl)phenol?

The InChIKey is BDVSTKBPUYVFHQ-JTOYJDTJSA-N. The full InChI is InChI=1S/C34H50N2O2/c1-9-33(7,10-2)27-17-23(5)31(37)25(19-27)21-35-29-15-13-14-16-30(29)36-22-26-20-28(18-24(6)32(26)38)34(8,11-3)12-4/h17-22,29-30,37-38H,9-16H2,1-8H3/b35-21+,36-22+.

What are the key properties of 2-[[2-[[2-hydroxy-3-methyl-5-(3-methylpentan-3-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-(3-methylpentan-3-yl)phenol?

2-[[2-[[2-hydroxy-3-methyl-5-(3-methylpentan-3-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-(3-methylpentan-3-yl)phenol has a molecular weight of 518.79 g/mol, XLogP of 8.72, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[[2-hydroxy-3-methyl-5-(3-methylpentan-3-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-(3-methylpentan-3-yl)phenol is sourced from PubChem (CID 158335728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).