N-(4-butan-2-ylphenyl)-1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methanimine

C26H34N2 — CID 50866388

IUPACN-(4-butan-2-ylphenyl)-1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methanimine
SMILESCCC(C)c1ccc(/N=C/c2cc3c(cc2C)N(CC)C(C)(C)C=C3C)cc1
InChIInChI=1S/C26H34N2/c1-8-18(3)21-10-12-23(13-11-21)27-17-22-15-24-20(5)16-26(6,7)28(9-2)25(24)14-19(22)4/h10-18H,8-9H2,1-7H3/b27-17+
InChIKeyLWKCBKFXEDZDAW-WPWMEQJKSA-N
MW374.57 g/mol
LogP7.28
Rot. Bonds5

About N-(4-butan-2-ylphenyl)-1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methanimine

N-(4-butan-2-ylphenyl)-1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methanimine (PubChem CID 50866388) has the molecular formula C26H34N2 and a molecular weight of 374.57 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methanimine
PubChem CID50866388
Molecular FormulaC26H34N2
Molecular Weight374.57 g/mol
Exact Mass374.27
IUPAC NameN-(4-butan-2-ylphenyl)-1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methanimine
SMILESCCC(C)c1ccc(/N=C/c2cc3c(cc2C)N(CC)C(C)(C)C=C3C)cc1
InChIInChI=1S/C26H34N2/c1-8-18(3)21-10-12-23(13-11-21)27-17-22-15-24-20(5)16-26(6,7)28(9-2)25(24)14-19(22)4/h10-18H,8-9H2,1-7H3/b27-17+
InChIKeyLWKCBKFXEDZDAW-WPWMEQJKSA-N
XLogP7.28
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 57.28
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-chlorophenyl)-1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methanimine
CID 50866985
1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine
CID 50866938
1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(2-methylphenyl)methanimine
CID 50866646
5-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-hydroxybenzoic acid
CID 50866768
3-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]benzoic acid
CID 50866984
1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(4-methoxyphenyl)methanimine
CID 50867716
N-[4-(4-methylphenoxy)phenyl]-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868575
N-phenyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]aniline
CID 50868952
N-(4-nitrophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868677
N-(4-fluoro-3-methylphenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868999
1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)-N-(4-methoxyphenyl)methanimine
CID 50867508
N-naphthalen-2-yl-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50869022

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methanimine?
The IUPAC name of N-(4-butan-2-ylphenyl)-1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methanimine (CID 50866388) is N-(4-butan-2-ylphenyl)-1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methanimine.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methanimine?
The canonical SMILES for N-(4-butan-2-ylphenyl)-1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methanimine is CCC(C)c1ccc(/N=C/c2cc3c(cc2C)N(CC)C(C)(C)C=C3C)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methanimine?
The InChIKey is LWKCBKFXEDZDAW-WPWMEQJKSA-N. The full InChI is InChI=1S/C26H34N2/c1-8-18(3)21-10-12-23(13-11-21)27-17-22-15-24-20(5)16-26(6,7)28(9-2)25(24)14-19(22)4/h10-18H,8-9H2,1-7H3/b27-17+.
What are the key properties of N-(4-butan-2-ylphenyl)-1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methanimine?
N-(4-butan-2-ylphenyl)-1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methanimine has a molecular weight of 374.57 g/mol, XLogP of 7.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methanimine is sourced from PubChem (CID 50866388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).