4-butyl-2-tert-butyl-6-[[2-[(5-butyl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol

C35H52N2O2 — CID 137079191

IUPAC4-butyl-2-tert-butyl-6-[[2-[(5-butyl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol
SMILESCCCCc1cc(/C=N/C2CCCC2/N=C/c2cc(CCCC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C35H52N2O2/c1-9-11-14-24-18-26(32(38)28(20-24)34(3,4)5)22-36-30-16-13-17-31(30)37-23-27-19-25(15-12-10-2)21-29(33(27)39)35(6,7)8/h18-23,30-31,38-39H,9-17H2,1-8H3/b36-22+,37-23+
InChIKeyMEAWBXJKHKKUCP-BVDGQYGUSA-N
MW532.81 g/mol
LogP8.84
Rot. Bonds10

About 4-butyl-2-tert-butyl-6-[[2-[(5-butyl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol

4-butyl-2-tert-butyl-6-[[2-[(5-butyl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol (PubChem CID 137079191) has the molecular formula C35H52N2O2 and a molecular weight of 532.81 g/mol. Its IUPAC name is 4-butyl-2-tert-butyl-6-[[2-[(5-butyl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol.

Molecular Properties

Compound Name4-butyl-2-tert-butyl-6-[[2-[(5-butyl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol
PubChem CID137079191
Molecular FormulaC35H52N2O2
Molecular Weight532.81 g/mol
Exact Mass532.40
IUPAC Name4-butyl-2-tert-butyl-6-[[2-[(5-butyl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol
SMILESCCCCc1cc(/C=N/C2CCCC2/N=C/c2cc(CCCC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C35H52N2O2/c1-9-11-14-24-18-26(32(38)28(20-24)34(3,4)5)22-36-30-16-13-17-31(30)37-23-27-19-25(15-12-10-2)21-29(33(27)39)35(6,7)8/h18-23,30-31,38-39H,9-17H2,1-8H3/b36-22+,37-23+
InChIKeyMEAWBXJKHKKUCP-BVDGQYGUSA-N
XLogP8.84
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.81
LogP ≤ 58.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-6-[[2-[[3-tert-butyl-2-hydroxy-5-(4-hydroxybutyl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4-(4-hydroxybutyl)phenol
CID 137213676
4-butyl-2-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-6-pentan-2-ylphenol
CID 143367608
2-tert-butyl-6-[[(1S,2S)-2-[[3-tert-butyl-5-[(dioctylamino)methyl]-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-4-[(dioctylamino)methyl]phenol
CID 136690008
2-tert-butyl-6-[[2-[[3-tert-butyl-5-(chloromethyl)-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-4-(chloromethyl)phenol
CID 136760098
2-tert-butyl-6-[[(1R,2R)-2-[[3-tert-butyl-2-hydroxy-5-[2-(2-hydroxyethylsulfanyl)ethyl]phenyl]methylideneamino]cyclohexyl]iminomethyl]-4-[2-(2-hydroxyethylsulfanyl)ethyl]phenol
CID 136774042
4-butyl-2-tert-butyl-6-[3-[(5-butyl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol
CID 137167260
2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;manganese(3+)
CID 137305952
2,4-ditert-butyl-6-[[(1S,2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;nickel
CID 137139639
[4-[3-[[2-[[5-[1,7-bis(tributylazaniumyl)heptan-4-yl]-3-tert-butyl-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-5-tert-butyl-4-hydroxyphenyl]-7-(tributylazaniumyl)heptyl]-tributylazanium
CID 139291160
2-tert-butyl-6-[[2-[(3-tert-butyl-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-propan-2-ylphenol
CID 137091613
chromium;2,4-ditert-butyl-6-[[(1S,2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;hydrochloride
CID 166597440
chromium;2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;chloride
CID 170923546

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-tert-butyl-6-[[2-[(5-butyl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol?
The IUPAC name of 4-butyl-2-tert-butyl-6-[[2-[(5-butyl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol (CID 137079191) is 4-butyl-2-tert-butyl-6-[[2-[(5-butyl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol.
What is the SMILES notation for 4-butyl-2-tert-butyl-6-[[2-[(5-butyl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol?
The canonical SMILES for 4-butyl-2-tert-butyl-6-[[2-[(5-butyl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol is CCCCc1cc(/C=N/C2CCCC2/N=C/c2cc(CCCC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 4-butyl-2-tert-butyl-6-[[2-[(5-butyl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol?
The InChIKey is MEAWBXJKHKKUCP-BVDGQYGUSA-N. The full InChI is InChI=1S/C35H52N2O2/c1-9-11-14-24-18-26(32(38)28(20-24)34(3,4)5)22-36-30-16-13-17-31(30)37-23-27-19-25(15-12-10-2)21-29(33(27)39)35(6,7)8/h18-23,30-31,38-39H,9-17H2,1-8H3/b36-22+,37-23+.
What are the key properties of 4-butyl-2-tert-butyl-6-[[2-[(5-butyl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol?
4-butyl-2-tert-butyl-6-[[2-[(5-butyl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol has a molecular weight of 532.81 g/mol, XLogP of 8.84, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-tert-butyl-6-[[2-[(5-butyl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol is sourced from PubChem (CID 137079191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).