2-[[2-[[2-hydroxy-3,5-bis(2-methylpropyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-bis(2-methylpropyl)phenol

C35H52N2O2 — CID 137079153

About 2-[[2-[[2-hydroxy-3,5-bis(2-methylpropyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-bis(2-methylpropyl)phenol

2-[[2-[[2-hydroxy-3,5-bis(2-methylpropyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-bis(2-methylpropyl)phenol (PubChem CID 137079153) has the molecular formula C35H52N2O2 and a molecular weight of 532.81 g/mol. Its IUPAC name is 2-[[2-[[2-hydroxy-3,5-bis(2-methylpropyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-bis(2-methylpropyl)phenol.

Molecular Properties

• Compound Name: 2-[[2-[[2-hydroxy-3,5-bis(2-methylpropyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-bis(2-methylpropyl)phenol
• PubChem CID: 137079153
• Molecular Formula: C35H52N2O2
• Molecular Weight: 532.81 g/mol
• Exact Mass: 532.40
• IUPAC Name: 2-[[2-[[2-hydroxy-3,5-bis(2-methylpropyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-bis(2-methylpropyl)phenol
• SMILES: CC(C)Cc1cc(/C=N/C2CCCC2/N=C/c2cc(CC(C)C)cc(CC(C)C)c2O)c(O)c(CC(C)C)c1
• InChI: InChI=1S/C35H52N2O2/c1-22(2)12-26-16-28(14-24(5)6)34(38)30(18-26)20-36-32-10-9-11-33(32)37-21-31-19-27(13-23(3)4)17-29(35(31)39)15-25(7)8/h16-25,32-33,38-39H,9-15H2,1-8H3/b36-20+,37-21+
• InChIKey: NZZCJRMAUXUDSH-UHQZYLKYSA-N
• XLogP: 8.35
• TPSA: 65.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.81
LogP ≤ 5	8.35
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-3,5-bis(2-methylpropyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-bis(2-methylpropyl)phenol?

The IUPAC name of 2-[[2-[[2-hydroxy-3,5-bis(2-methylpropyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-bis(2-methylpropyl)phenol (CID 137079153) is 2-[[2-[[2-hydroxy-3,5-bis(2-methylpropyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-bis(2-methylpropyl)phenol.

What is the SMILES notation for 2-[[2-[[2-hydroxy-3,5-bis(2-methylpropyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-bis(2-methylpropyl)phenol?

The canonical SMILES for 2-[[2-[[2-hydroxy-3,5-bis(2-methylpropyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-bis(2-methylpropyl)phenol is CC(C)Cc1cc(/C=N/C2CCCC2/N=C/c2cc(CC(C)C)cc(CC(C)C)c2O)c(O)c(CC(C)C)c1.

What is the InChIKey of 2-[[2-[[2-hydroxy-3,5-bis(2-methylpropyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-bis(2-methylpropyl)phenol?

The InChIKey is NZZCJRMAUXUDSH-UHQZYLKYSA-N. The full InChI is InChI=1S/C35H52N2O2/c1-22(2)12-26-16-28(14-24(5)6)34(38)30(18-26)20-36-32-10-9-11-33(32)37-21-31-19-27(13-23(3)4)17-29(35(31)39)15-25(7)8/h16-25,32-33,38-39H,9-15H2,1-8H3/b36-20+,37-21+.

What are the key properties of 2-[[2-[[2-hydroxy-3,5-bis(2-methylpropyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-bis(2-methylpropyl)phenol?

2-[[2-[[2-hydroxy-3,5-bis(2-methylpropyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-bis(2-methylpropyl)phenol has a molecular weight of 532.81 g/mol, XLogP of 8.35, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[[2-hydroxy-3,5-bis(2-methylpropyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-bis(2-methylpropyl)phenol is sourced from PubChem (CID 137079153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).