2-[[3-[(2-hydroxy-3,5-dipropylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dipropylphenol

C32H46N2O2 — CID 137047481

IUPAC2-[[3-[(2-hydroxy-3,5-dipropylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dipropylphenol
SMILESCCCc1cc(/C=N/C2CCCC(/N=C/c3cc(CCC)cc(CCC)c3O)C2)c(O)c(CCC)c1
InChIInChI=1S/C32H46N2O2/c1-5-10-23-16-25(12-7-3)31(35)27(18-23)21-33-29-14-9-15-30(20-29)34-22-28-19-24(11-6-2)17-26(13-8-4)32(28)36/h16-19,21-22,29-30,35-36H,5-15,20H2,1-4H3/b33-21+,34-22+
InChIKeyVYDMHTKABJAQAH-WXGDAXOSSA-N
MW490.73 g/mol
LogP7.76
Rot. Bonds12

About 2-[[3-[(2-hydroxy-3,5-dipropylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dipropylphenol

2-[[3-[(2-hydroxy-3,5-dipropylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dipropylphenol (PubChem CID 137047481) has the molecular formula C32H46N2O2 and a molecular weight of 490.73 g/mol. Its IUPAC name is 2-[[3-[(2-hydroxy-3,5-dipropylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dipropylphenol.

Molecular Properties

Compound Name2-[[3-[(2-hydroxy-3,5-dipropylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dipropylphenol
PubChem CID137047481
Molecular FormulaC32H46N2O2
Molecular Weight490.73 g/mol
Exact Mass490.36
IUPAC Name2-[[3-[(2-hydroxy-3,5-dipropylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dipropylphenol
SMILESCCCc1cc(/C=N/C2CCCC(/N=C/c3cc(CCC)cc(CCC)c3O)C2)c(O)c(CCC)c1
InChIInChI=1S/C32H46N2O2/c1-5-10-23-16-25(12-7-3)31(35)27(18-23)21-33-29-14-9-15-30(20-29)34-22-28-19-24(11-6-2)17-26(13-8-4)32(28)36/h16-19,21-22,29-30,35-36H,5-15,20H2,1-4H3/b33-21+,34-22+
InChIKeyVYDMHTKABJAQAH-WXGDAXOSSA-N
XLogP7.76
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.73
LogP ≤ 57.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-hydroxy-3,5-dipropylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dipropylphenol?
The IUPAC name of 2-[[3-[(2-hydroxy-3,5-dipropylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dipropylphenol (CID 137047481) is 2-[[3-[(2-hydroxy-3,5-dipropylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dipropylphenol.
What is the SMILES notation for 2-[[3-[(2-hydroxy-3,5-dipropylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dipropylphenol?
The canonical SMILES for 2-[[3-[(2-hydroxy-3,5-dipropylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dipropylphenol is CCCc1cc(/C=N/C2CCCC(/N=C/c3cc(CCC)cc(CCC)c3O)C2)c(O)c(CCC)c1.
What is the InChIKey of 2-[[3-[(2-hydroxy-3,5-dipropylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dipropylphenol?
The InChIKey is VYDMHTKABJAQAH-WXGDAXOSSA-N. The full InChI is InChI=1S/C32H46N2O2/c1-5-10-23-16-25(12-7-3)31(35)27(18-23)21-33-29-14-9-15-30(20-29)34-22-28-19-24(11-6-2)17-26(13-8-4)32(28)36/h16-19,21-22,29-30,35-36H,5-15,20H2,1-4H3/b33-21+,34-22+.
What are the key properties of 2-[[3-[(2-hydroxy-3,5-dipropylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dipropylphenol?
2-[[3-[(2-hydroxy-3,5-dipropylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dipropylphenol has a molecular weight of 490.73 g/mol, XLogP of 7.76, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-hydroxy-3,5-dipropylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dipropylphenol is sourced from PubChem (CID 137047481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).