N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-4H-pyran-2-yl]ethanimine

C25H28N2O — CID 90442442

IUPACN-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-4H-pyran-2-yl]ethanimine
SMILESC/C(=N\c1c(C)cccc1C)C1=CCC=C(/C(C)=N/c2c(C)cccc2C)O1
InChIInChI=1S/C25H28N2O/c1-16-10-7-11-17(2)24(16)26-20(5)22-14-9-15-23(28-22)21(6)27-25-18(3)12-8-13-19(25)4/h7-8,10-15H,9H2,1-6H3/b26-20+,27-21+
InChIKeyDTLJQVCGZLNFNT-CRYYDKFDSA-N
MW372.51 g/mol
LogP6.99
Rot. Bonds4

About N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-4H-pyran-2-yl]ethanimine

N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-4H-pyran-2-yl]ethanimine (PubChem CID 90442442) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-4H-pyran-2-yl]ethanimine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-4H-pyran-2-yl]ethanimine
PubChem CID90442442
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC NameN-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-4H-pyran-2-yl]ethanimine
SMILESC/C(=N\c1c(C)cccc1C)C1=CCC=C(/C(C)=N/c2c(C)cccc2C)O1
InChIInChI=1S/C25H28N2O/c1-16-10-7-11-17(2)24(16)26-20(5)22-14-9-15-23(28-22)21(6)27-25-18(3)12-8-13-19(25)4/h7-8,10-15H,9H2,1-6H3/b26-20+,27-21+
InChIKeyDTLJQVCGZLNFNT-CRYYDKFDSA-N
XLogP6.99
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-4H-pyran-2-yl]ethanimine?
The IUPAC name of N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-4H-pyran-2-yl]ethanimine (CID 90442442) is N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-4H-pyran-2-yl]ethanimine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-4H-pyran-2-yl]ethanimine?
The canonical SMILES for N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-4H-pyran-2-yl]ethanimine is C/C(=N\c1c(C)cccc1C)C1=CCC=C(/C(C)=N/c2c(C)cccc2C)O1.
What is the InChIKey of N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-4H-pyran-2-yl]ethanimine?
The InChIKey is DTLJQVCGZLNFNT-CRYYDKFDSA-N. The full InChI is InChI=1S/C25H28N2O/c1-16-10-7-11-17(2)24(16)26-20(5)22-14-9-15-23(28-22)21(6)27-25-18(3)12-8-13-19(25)4/h7-8,10-15H,9H2,1-6H3/b26-20+,27-21+.
What are the key properties of N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-4H-pyran-2-yl]ethanimine?
N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-4H-pyran-2-yl]ethanimine has a molecular weight of 372.51 g/mol, XLogP of 6.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-4H-pyran-2-yl]ethanimine is sourced from PubChem (CID 90442442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).