2-[2-[[2-hydroxy-3,5-bis(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4,6-bis(3-methylbutyl)phenol

C36H56N2O2 — CID 137037636

IUPAC2-[2-[[2-hydroxy-3,5-bis(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4,6-bis(3-methylbutyl)phenol
SMILESCC(C)CCc1cc(/C=N/CC/N=C/c2cc(CCC(C)C)cc(CCC(C)C)c2O)c(O)c(CCC(C)C)c1
InChIInChI=1S/C36H56N2O2/c1-25(2)9-13-29-19-31(15-11-27(5)6)35(39)33(21-29)23-37-17-18-38-24-34-22-30(14-10-26(3)4)20-32(36(34)40)16-12-28(7)8/h19-28,39-40H,9-18H2,1-8H3/b37-23+,38-24+
InChIKeyDEMHAERDQMXALT-DNJOOXRZSA-N
MW548.86 g/mol
LogP8.99
Rot. Bonds17

About 2-[2-[[2-hydroxy-3,5-bis(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4,6-bis(3-methylbutyl)phenol

2-[2-[[2-hydroxy-3,5-bis(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4,6-bis(3-methylbutyl)phenol (PubChem CID 137037636) has the molecular formula C36H56N2O2 and a molecular weight of 548.86 g/mol. Its IUPAC name is 2-[2-[[2-hydroxy-3,5-bis(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4,6-bis(3-methylbutyl)phenol.

Molecular Properties

Compound Name2-[2-[[2-hydroxy-3,5-bis(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4,6-bis(3-methylbutyl)phenol
PubChem CID137037636
Molecular FormulaC36H56N2O2
Molecular Weight548.86 g/mol
Exact Mass548.43
IUPAC Name2-[2-[[2-hydroxy-3,5-bis(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4,6-bis(3-methylbutyl)phenol
SMILESCC(C)CCc1cc(/C=N/CC/N=C/c2cc(CCC(C)C)cc(CCC(C)C)c2O)c(O)c(CCC(C)C)c1
InChIInChI=1S/C36H56N2O2/c1-25(2)9-13-29-19-31(15-11-27(5)6)35(39)33(21-29)23-37-17-18-38-24-34-22-30(14-10-26(3)4)20-32(36(34)40)16-12-28(7)8/h19-28,39-40H,9-18H2,1-8H3/b37-23+,38-24+
InChIKeyDEMHAERDQMXALT-DNJOOXRZSA-N
XLogP8.99
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.86
LogP ≤ 58.99
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'}

Analyze 2-[2-[[2-hydroxy-3,5-bis(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4,6-bis(3-methylbutyl)phenol with MolForge

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Related Compounds

2-[[[2-hydroxy-3,5-bis(3-methylbutyl)phenyl]methylideneamino]methyliminomethyl]-4,6-bis(3-methylbutyl)phenol
CID 137154888
2-tert-butyl-6-[2-[[3-tert-butyl-2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4-(3-methylbutyl)phenol
CID 137148529
2-[3-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]propyliminomethyl]-6-methyl-4-(3-methylbutyl)phenol
CID 137061127
2-[2-[[2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4-(3-methylbutyl)phenol
CID 137122372
cobalt(2+);2,4-dibutyl-6-[3-[(3,5-dibutyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol;diacetate
CID 162242811
cobalt(2+);2-[[[2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]methyliminomethyl]-4-(3-methylbutyl)phenol;diacetate
CID 158725334
4-ethyl-2-[2-[(5-ethyl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol
CID 137117917
2-[[3-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol
CID 137048789
4-butan-2-yl-2-[2-[(5-butan-2-yl-3-ethyl-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-6-ethylphenol
CID 137047505
2-tert-butyl-6-[[4-[[3-tert-butyl-2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4-(3-methylbutyl)phenol
CID 137047771
2-[[8-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol
CID 137156887
2-[[4-[(2-hydroxy-3,5-dipropylphenyl)methylideneamino]phenyl]iminomethyl]-4,6-dipropylphenol
CID 137130350

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-hydroxy-3,5-bis(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4,6-bis(3-methylbutyl)phenol?
The IUPAC name of 2-[2-[[2-hydroxy-3,5-bis(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4,6-bis(3-methylbutyl)phenol (CID 137037636) is 2-[2-[[2-hydroxy-3,5-bis(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4,6-bis(3-methylbutyl)phenol.
What is the SMILES notation for 2-[2-[[2-hydroxy-3,5-bis(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4,6-bis(3-methylbutyl)phenol?
The canonical SMILES for 2-[2-[[2-hydroxy-3,5-bis(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4,6-bis(3-methylbutyl)phenol is CC(C)CCc1cc(/C=N/CC/N=C/c2cc(CCC(C)C)cc(CCC(C)C)c2O)c(O)c(CCC(C)C)c1.
What is the InChIKey of 2-[2-[[2-hydroxy-3,5-bis(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4,6-bis(3-methylbutyl)phenol?
The InChIKey is DEMHAERDQMXALT-DNJOOXRZSA-N. The full InChI is InChI=1S/C36H56N2O2/c1-25(2)9-13-29-19-31(15-11-27(5)6)35(39)33(21-29)23-37-17-18-38-24-34-22-30(14-10-26(3)4)20-32(36(34)40)16-12-28(7)8/h19-28,39-40H,9-18H2,1-8H3/b37-23+,38-24+.
What are the key properties of 2-[2-[[2-hydroxy-3,5-bis(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4,6-bis(3-methylbutyl)phenol?
2-[2-[[2-hydroxy-3,5-bis(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4,6-bis(3-methylbutyl)phenol has a molecular weight of 548.86 g/mol, XLogP of 8.99, 17 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(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4,6-bis(3-methylbutyl)phenol is sourced from PubChem (CID 137037636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).