N-(4-tert-butylphenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine

C25H32N2 — CID 50866447

IUPACN-(4-tert-butylphenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine
SMILESCCN1c2ccc(/C=N/c3ccc(C(C)(C)C)cc3)cc2C(C)=CC1(C)C
InChIInChI=1S/C25H32N2/c1-8-27-23-14-9-19(15-22(23)18(2)16-25(27,6)7)17-26-21-12-10-20(11-13-21)24(3,4)5/h9-17H,8H2,1-7H3/b26-17+
InChIKeyBXYZKZKKTQMXLC-YZSQISJMSA-N
MW360.55 g/mol
LogP6.76
Rot. Bonds3

About N-(4-tert-butylphenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine

N-(4-tert-butylphenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine (PubChem CID 50866447) has the molecular formula C25H32N2 and a molecular weight of 360.55 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine
PubChem CID50866447
Molecular FormulaC25H32N2
Molecular Weight360.55 g/mol
Exact Mass360.26
IUPAC NameN-(4-tert-butylphenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine
SMILESCCN1c2ccc(/C=N/c3ccc(C(C)(C)C)cc3)cc2C(C)=CC1(C)C
InChIInChI=1S/C25H32N2/c1-8-27-23-14-9-19(15-22(23)18(2)16-25(27,6)7)17-26-21-12-10-20(11-13-21)24(3,4)5/h9-17H,8H2,1-7H3/b26-17+
InChIKeyBXYZKZKKTQMXLC-YZSQISJMSA-N
XLogP6.76
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.55
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50866339
4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-N-phenylaniline
CID 50866323
N-(5-chloro-2-methylphenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50866316
N-(1-adamantyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine
CID 3832411
N-(4-chlorophenyl)-1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methanimine
CID 50866985
methyl 4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methylbenzoate
CID 50866348
N-[(E)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]pyridine-4-carboxamide
CID 133170834
1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(4-methoxyphenyl)methanimine
CID 50867716
4-[(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]benzoic acid
CID 50867552
N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-4-nitrobenzamide
CID 50866226
N-(2,4-dichlorophenyl)-1-(2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
CID 50868469
N-(4-butan-2-ylphenyl)-1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methanimine
CID 50866388

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine?
The IUPAC name of N-(4-tert-butylphenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine (CID 50866447) is N-(4-tert-butylphenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine.
What is the SMILES notation for N-(4-tert-butylphenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine?
The canonical SMILES for N-(4-tert-butylphenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine is CCN1c2ccc(/C=N/c3ccc(C(C)(C)C)cc3)cc2C(C)=CC1(C)C.
What is the InChIKey of N-(4-tert-butylphenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine?
The InChIKey is BXYZKZKKTQMXLC-YZSQISJMSA-N. The full InChI is InChI=1S/C25H32N2/c1-8-27-23-14-9-19(15-22(23)18(2)16-25(27,6)7)17-26-21-12-10-20(11-13-21)24(3,4)5/h9-17H,8H2,1-7H3/b26-17+.
What are the key properties of N-(4-tert-butylphenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine?
N-(4-tert-butylphenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine has a molecular weight of 360.55 g/mol, XLogP of 6.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine is sourced from PubChem (CID 50866447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).