4-butan-2-yl-2-[2-[(5-butan-2-yl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol

C30H44N2O2 — CID 137160061

IUPAC4-butan-2-yl-2-[2-[(5-butan-2-yl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol
SMILESCCC(C)c1cc(/C=N/CC/N=C/c2cc(C(C)CC)cc(C(C)C)c2O)c(O)c(C(C)C)c1
InChIInChI=1S/C30H44N2O2/c1-9-21(7)23-13-25(29(33)27(15-23)19(3)4)17-31-11-12-32-18-26-14-24(22(8)10-2)16-28(20(5)6)30(26)34/h13-22,33-34H,9-12H2,1-8H3/b31-17+,32-18+
InChIKeyWAEXXEQIOXWZOL-LTTYKRRRSA-N
MW464.69 g/mol
LogP7.91
Rot. Bonds11

About 4-butan-2-yl-2-[2-[(5-butan-2-yl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol

4-butan-2-yl-2-[2-[(5-butan-2-yl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol (PubChem CID 137160061) has the molecular formula C30H44N2O2 and a molecular weight of 464.69 g/mol. Its IUPAC name is 4-butan-2-yl-2-[2-[(5-butan-2-yl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol.

Molecular Properties

Compound Name4-butan-2-yl-2-[2-[(5-butan-2-yl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol
PubChem CID137160061
Molecular FormulaC30H44N2O2
Molecular Weight464.69 g/mol
Exact Mass464.34
IUPAC Name4-butan-2-yl-2-[2-[(5-butan-2-yl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol
SMILESCCC(C)c1cc(/C=N/CC/N=C/c2cc(C(C)CC)cc(C(C)C)c2O)c(O)c(C(C)C)c1
InChIInChI=1S/C30H44N2O2/c1-9-21(7)23-13-25(29(33)27(15-23)19(3)4)17-31-11-12-32-18-26-14-24(22(8)10-2)16-28(20(5)6)30(26)34/h13-22,33-34H,9-12H2,1-8H3/b31-17+,32-18+
InChIKeyWAEXXEQIOXWZOL-LTTYKRRRSA-N
XLogP7.91
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.69
LogP ≤ 57.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-di(butan-2-yl)-6-[3-[[3,5-di(butan-2-yl)-2-hydroxyphenyl]methylideneamino]propyliminomethyl]phenol
CID 137119188
4-butan-2-yl-2-[2-[(5-butan-2-yl-3-ethyl-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-6-ethylphenol
CID 137047505
4-ethyl-2-[2-[(5-ethyl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol
CID 137117917
4-butan-2-yl-2-[3-[(5-butan-2-yl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]-6-tert-butylphenol
CID 137166474
2-[2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-methyl-4-propan-2-ylphenol
CID 137037419
4-butan-2-yl-2-[[(5-butan-2-yl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]methyliminomethyl]-6-tert-butylphenol
CID 137091614
cobalt(2+);2-ethyl-6-[2-[(3-ethyl-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-4-propan-2-ylphenol;diacetate
CID 161219706
4-(decyliminomethyl)-2,6-di(propan-2-yl)phenol
CID 162108034
2-[[3-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]phenyl]iminomethyl]-4,6-di(propan-2-yl)phenol
CID 137163057
4-butan-2-yl-2,6-di(propan-2-yl)aniline
CID 58701369
carbanide;carbonic acid;cobalt;tributyl-[4-[4-hydroxy-3-[2-[(2-hydroxy-5-pentyl-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-5-propan-2-ylphenyl]butyl]azanium
CID 159795596
2-[[(2-hydroxy-5-phenyl-3-propan-2-ylphenyl)methylideneamino]methyliminomethyl]-4-phenyl-6-propan-2-ylphenol
CID 137029937

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-2-[2-[(5-butan-2-yl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol?
The IUPAC name of 4-butan-2-yl-2-[2-[(5-butan-2-yl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol (CID 137160061) is 4-butan-2-yl-2-[2-[(5-butan-2-yl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol.
What is the SMILES notation for 4-butan-2-yl-2-[2-[(5-butan-2-yl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol?
The canonical SMILES for 4-butan-2-yl-2-[2-[(5-butan-2-yl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol is CCC(C)c1cc(/C=N/CC/N=C/c2cc(C(C)CC)cc(C(C)C)c2O)c(O)c(C(C)C)c1.
What is the InChIKey of 4-butan-2-yl-2-[2-[(5-butan-2-yl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol?
The InChIKey is WAEXXEQIOXWZOL-LTTYKRRRSA-N. The full InChI is InChI=1S/C30H44N2O2/c1-9-21(7)23-13-25(29(33)27(15-23)19(3)4)17-31-11-12-32-18-26-14-24(22(8)10-2)16-28(20(5)6)30(26)34/h13-22,33-34H,9-12H2,1-8H3/b31-17+,32-18+.
What are the key properties of 4-butan-2-yl-2-[2-[(5-butan-2-yl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol?
4-butan-2-yl-2-[2-[(5-butan-2-yl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol has a molecular weight of 464.69 g/mol, XLogP of 7.91, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-2-[2-[(5-butan-2-yl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol is sourced from PubChem (CID 137160061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).