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

C35H54N2O2 — CID 137154888

IUPAC2-[[[2-hydroxy-3,5-bis(3-methylbutyl)phenyl]methylideneamino]methyliminomethyl]-4,6-bis(3-methylbutyl)phenol
SMILESCC(C)CCc1cc(C=NCN=Cc2cc(CCC(C)C)cc(CCC(C)C)c2O)c(O)c(CCC(C)C)c1
InChIInChI=1S/C35H54N2O2/c1-24(2)9-13-28-17-30(15-11-26(5)6)34(38)32(19-28)21-36-23-37-22-33-20-29(14-10-25(3)4)18-31(35(33)39)16-12-27(7)8/h17-22,24-27,38-39H,9-16,23H2,1-8H3
InChIKeyFKXXNJYWVNJACT-UHFFFAOYSA-N
MW534.83 g/mol
LogP8.95
Rot. Bonds16

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

2-[[[2-hydroxy-3,5-bis(3-methylbutyl)phenyl]methylideneamino]methyliminomethyl]-4,6-bis(3-methylbutyl)phenol (PubChem CID 137154888) has the molecular formula C35H54N2O2 and a molecular weight of 534.83 g/mol. Its IUPAC name is 2-[[[2-hydroxy-3,5-bis(3-methylbutyl)phenyl]methylideneamino]methyliminomethyl]-4,6-bis(3-methylbutyl)phenol.

Molecular Properties

Compound Name2-[[[2-hydroxy-3,5-bis(3-methylbutyl)phenyl]methylideneamino]methyliminomethyl]-4,6-bis(3-methylbutyl)phenol
PubChem CID137154888
Molecular FormulaC35H54N2O2
Molecular Weight534.83 g/mol
Exact Mass534.42
IUPAC Name2-[[[2-hydroxy-3,5-bis(3-methylbutyl)phenyl]methylideneamino]methyliminomethyl]-4,6-bis(3-methylbutyl)phenol
SMILESCC(C)CCc1cc(C=NCN=Cc2cc(CCC(C)C)cc(CCC(C)C)c2O)c(O)c(CCC(C)C)c1
InChIInChI=1S/C35H54N2O2/c1-24(2)9-13-28-17-30(15-11-26(5)6)34(38)32(19-28)21-36-23-37-22-33-20-29(14-10-25(3)4)18-31(35(33)39)16-12-27(7)8/h17-22,24-27,38-39H,9-16,23H2,1-8H3
InChIKeyFKXXNJYWVNJACT-UHFFFAOYSA-N
XLogP8.95
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.83
LogP ≤ 58.95
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-[2-[[2-hydroxy-3,5-bis(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4,6-bis(3-methylbutyl)phenol
CID 137037636
2-[3-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]propyliminomethyl]-6-methyl-4-(3-methylbutyl)phenol
CID 137061127
2-tert-butyl-6-[2-[[3-tert-butyl-2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4-(3-methylbutyl)phenol
CID 137148529
cobalt(2+);2-[[[2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]methyliminomethyl]-4-(3-methylbutyl)phenol;diacetate
CID 158725334
2-[2-[[2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4-(3-methylbutyl)phenol
CID 137122372
2-[[3-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol
CID 137048789
2-tert-butyl-6-[[(3-tert-butyl-2-hydroxy-5-propylphenyl)methylideneamino]methyliminomethyl]-4-propylphenol
CID 137103949
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
cobalt(2+);2,4-dibutyl-6-[3-[(3,5-dibutyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol;diacetate
CID 162242811
cobalt(2+);2-[[2-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol;diacetate
CID 173033910

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-hydroxy-3,5-bis(3-methylbutyl)phenyl]methylideneamino]methyliminomethyl]-4,6-bis(3-methylbutyl)phenol?
The IUPAC name of 2-[[[2-hydroxy-3,5-bis(3-methylbutyl)phenyl]methylideneamino]methyliminomethyl]-4,6-bis(3-methylbutyl)phenol (CID 137154888) is 2-[[[2-hydroxy-3,5-bis(3-methylbutyl)phenyl]methylideneamino]methyliminomethyl]-4,6-bis(3-methylbutyl)phenol.
What is the SMILES notation for 2-[[[2-hydroxy-3,5-bis(3-methylbutyl)phenyl]methylideneamino]methyliminomethyl]-4,6-bis(3-methylbutyl)phenol?
The canonical SMILES for 2-[[[2-hydroxy-3,5-bis(3-methylbutyl)phenyl]methylideneamino]methyliminomethyl]-4,6-bis(3-methylbutyl)phenol is CC(C)CCc1cc(C=NCN=Cc2cc(CCC(C)C)cc(CCC(C)C)c2O)c(O)c(CCC(C)C)c1.
What is the InChIKey of 2-[[[2-hydroxy-3,5-bis(3-methylbutyl)phenyl]methylideneamino]methyliminomethyl]-4,6-bis(3-methylbutyl)phenol?
The InChIKey is FKXXNJYWVNJACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H54N2O2/c1-24(2)9-13-28-17-30(15-11-26(5)6)34(38)32(19-28)21-36-23-37-22-33-20-29(14-10-25(3)4)18-31(35(33)39)16-12-27(7)8/h17-22,24-27,38-39H,9-16,23H2,1-8H3.
What are the key properties of 2-[[[2-hydroxy-3,5-bis(3-methylbutyl)phenyl]methylideneamino]methyliminomethyl]-4,6-bis(3-methylbutyl)phenol?
2-[[[2-hydroxy-3,5-bis(3-methylbutyl)phenyl]methylideneamino]methyliminomethyl]-4,6-bis(3-methylbutyl)phenol has a molecular weight of 534.83 g/mol, XLogP of 8.95, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-hydroxy-3,5-bis(3-methylbutyl)phenyl]methylideneamino]methyliminomethyl]-4,6-bis(3-methylbutyl)phenol is sourced from PubChem (CID 137154888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).