N-[4-[[3,5-diethyl-4-(pyridin-2-ylmethylideneamino)phenyl]methyl]-2,6-diethylphenyl]-1-pyridin-2-ylmethanimine

C33H36N4 — CID 11445939

IUPACN-[4-[[3,5-diethyl-4-(pyridin-2-ylmethylideneamino)phenyl]methyl]-2,6-diethylphenyl]-1-pyridin-2-ylmethanimine
SMILESCCc1cc(Cc2cc(CC)c(/N=C/c3ccccn3)c(CC)c2)cc(CC)c1/N=C/c1ccccn1
InChIInChI=1S/C33H36N4/c1-5-26-18-24(19-27(6-2)32(26)36-22-30-13-9-11-15-34-30)17-25-20-28(7-3)33(29(8-4)21-25)37-23-31-14-10-12-16-35-31/h9-16,18-23H,5-8,17H2,1-4H3/b36-22+,37-23+
InChIKeyWKPVZPWLOHWQMN-BVDGQYGUSA-N
MW488.68 g/mol
LogP7.82
Rot. Bonds10

About N-[4-[[3,5-diethyl-4-(pyridin-2-ylmethylideneamino)phenyl]methyl]-2,6-diethylphenyl]-1-pyridin-2-ylmethanimine

N-[4-[[3,5-diethyl-4-(pyridin-2-ylmethylideneamino)phenyl]methyl]-2,6-diethylphenyl]-1-pyridin-2-ylmethanimine (PubChem CID 11445939) has the molecular formula C33H36N4 and a molecular weight of 488.68 g/mol. Its IUPAC name is N-[4-[[3,5-diethyl-4-(pyridin-2-ylmethylideneamino)phenyl]methyl]-2,6-diethylphenyl]-1-pyridin-2-ylmethanimine.

Molecular Properties

Compound NameN-[4-[[3,5-diethyl-4-(pyridin-2-ylmethylideneamino)phenyl]methyl]-2,6-diethylphenyl]-1-pyridin-2-ylmethanimine
PubChem CID11445939
Molecular FormulaC33H36N4
Molecular Weight488.68 g/mol
Exact Mass488.29
IUPAC NameN-[4-[[3,5-diethyl-4-(pyridin-2-ylmethylideneamino)phenyl]methyl]-2,6-diethylphenyl]-1-pyridin-2-ylmethanimine
SMILESCCc1cc(Cc2cc(CC)c(/N=C/c3ccccn3)c(CC)c2)cc(CC)c1/N=C/c1ccccn1
InChIInChI=1S/C33H36N4/c1-5-26-18-24(19-27(6-2)32(26)36-22-30-13-9-11-15-34-30)17-25-20-28(7-3)33(29(8-4)21-25)37-23-31-14-10-12-16-35-31/h9-16,18-23H,5-8,17H2,1-4H3/b36-22+,37-23+
InChIKeyWKPVZPWLOHWQMN-BVDGQYGUSA-N
XLogP7.82
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.68
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[[3,5-diethyl-4-(pyridin-2-ylmethylideneamino)phenyl]methyl]-2,6-diethylphenyl]-1-pyridin-2-ylmethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine
CID 68745734
N-(2,6-diethylphenyl)-1-pyridin-2-ylmethanimine;nickel(2+);phenanthrene-9,10-diolate
CID 161039085
N-[4-[[3,5-diethyl-4-(pyridin-2-ylmethylideneamino)phenyl]-(4-nitrophenyl)methyl]-2,6-diethylphenyl]-1-pyridin-2-ylmethanimine
CID 102025564
N-(2,6-diethyl-4-methylphenyl)-1-[6-[(2,6-diethyl-4-methylphenyl)iminomethyl]-2-pyridinyl]methanimine
CID 70011747
N-(2,6-diethylphenyl)-1-[6-[(2,6-diethylphenyl)iminomethyl]-2-pyridinyl]methanimine;iron(3+);trichloride
CID 70014772
3,5-dimethyl-4-(pyridin-2-ylmethylideneamino)phenol
CID 139291560
N-(2,6-diethylphenyl)-1-pyrazin-2-ylmethanimine;nickel
CID 87860521
tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);zinc
CID 139116950
cobalt(3+);N-(2,4,6-tripropylphenyl)-1-[6-[(2,4,6-tripropylphenyl)iminomethyl]-2-pyridinyl]methanimine;trichloride
CID 70012064
N-propyl-1-pyridin-2-ylmethanimine
CID 11205848
1-[4-chloro-6-[(2,6-diethylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-diethylphenyl)methanimine;cobalt(2+);dichloride
CID 70014357
carbanide;N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;iron(2+)
CID 147504192

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3,5-diethyl-4-(pyridin-2-ylmethylideneamino)phenyl]methyl]-2,6-diethylphenyl]-1-pyridin-2-ylmethanimine?
The IUPAC name of N-[4-[[3,5-diethyl-4-(pyridin-2-ylmethylideneamino)phenyl]methyl]-2,6-diethylphenyl]-1-pyridin-2-ylmethanimine (CID 11445939) is N-[4-[[3,5-diethyl-4-(pyridin-2-ylmethylideneamino)phenyl]methyl]-2,6-diethylphenyl]-1-pyridin-2-ylmethanimine.
What is the SMILES notation for N-[4-[[3,5-diethyl-4-(pyridin-2-ylmethylideneamino)phenyl]methyl]-2,6-diethylphenyl]-1-pyridin-2-ylmethanimine?
The canonical SMILES for N-[4-[[3,5-diethyl-4-(pyridin-2-ylmethylideneamino)phenyl]methyl]-2,6-diethylphenyl]-1-pyridin-2-ylmethanimine is CCc1cc(Cc2cc(CC)c(/N=C/c3ccccn3)c(CC)c2)cc(CC)c1/N=C/c1ccccn1.
What is the InChIKey of N-[4-[[3,5-diethyl-4-(pyridin-2-ylmethylideneamino)phenyl]methyl]-2,6-diethylphenyl]-1-pyridin-2-ylmethanimine?
The InChIKey is WKPVZPWLOHWQMN-BVDGQYGUSA-N. The full InChI is InChI=1S/C33H36N4/c1-5-26-18-24(19-27(6-2)32(26)36-22-30-13-9-11-15-34-30)17-25-20-28(7-3)33(29(8-4)21-25)37-23-31-14-10-12-16-35-31/h9-16,18-23H,5-8,17H2,1-4H3/b36-22+,37-23+.
What are the key properties of N-[4-[[3,5-diethyl-4-(pyridin-2-ylmethylideneamino)phenyl]methyl]-2,6-diethylphenyl]-1-pyridin-2-ylmethanimine?
N-[4-[[3,5-diethyl-4-(pyridin-2-ylmethylideneamino)phenyl]methyl]-2,6-diethylphenyl]-1-pyridin-2-ylmethanimine has a molecular weight of 488.68 g/mol, XLogP of 7.82, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3,5-diethyl-4-(pyridin-2-ylmethylideneamino)phenyl]methyl]-2,6-diethylphenyl]-1-pyridin-2-ylmethanimine is sourced from PubChem (CID 11445939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).