N-(2-tert-butylquinolin-8-yl)-1-pyridin-2-ylmethanimine

C19H19N3 — CID 101430447

IUPACN-(2-tert-butylquinolin-8-yl)-1-pyridin-2-ylmethanimine
SMILESCC(C)(C)c1ccc2cccc(/N=C/c3ccccn3)c2n1
InChIInChI=1S/C19H19N3/c1-19(2,3)17-11-10-14-7-6-9-16(18(14)22-17)21-13-15-8-4-5-12-20-15/h4-13H,1-3H3/b21-13+
InChIKeyGCHBDVMWQXDZGG-FYJGNVAPSA-N
MW289.38 g/mol
LogP4.68
Rot. Bonds2

About N-(2-tert-butylquinolin-8-yl)-1-pyridin-2-ylmethanimine

N-(2-tert-butylquinolin-8-yl)-1-pyridin-2-ylmethanimine (PubChem CID 101430447) has the molecular formula C19H19N3 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(2-tert-butylquinolin-8-yl)-1-pyridin-2-ylmethanimine.

Molecular Properties

Compound NameN-(2-tert-butylquinolin-8-yl)-1-pyridin-2-ylmethanimine
PubChem CID101430447
Molecular FormulaC19H19N3
Molecular Weight289.38 g/mol
Exact Mass289.16
IUPAC NameN-(2-tert-butylquinolin-8-yl)-1-pyridin-2-ylmethanimine
SMILESCC(C)(C)c1ccc2cccc(/N=C/c3ccccn3)c2n1
InChIInChI=1S/C19H19N3/c1-19(2,3)17-11-10-14-7-6-9-16(18(14)22-17)21-13-15-8-4-5-12-20-15/h4-13H,1-3H3/b21-13+
InChIKeyGCHBDVMWQXDZGG-FYJGNVAPSA-N
XLogP4.68
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-pyridin-2-yl-N-quinolin-8-ylmethanimine
CID 15764078
manganese(3+);1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;diisothiocyanate
CID 11826597
bis(palladium(2+));1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;tetraacetate
CID 71620227
dioxidanium;copper;2-(pyridin-2-ylmethylideneamino)phenolate;bromide
CID 139147508
N-tert-butyl-1-pyridin-2-ylmethanimine
CID 11389570
copper(1+);bis(N-(2-methylsulfanylphenyl)-1-pyridin-2-ylmethanimine)
CID 140660307
N-(2-nitrophenyl)-1-pyridin-2-ylmethanimine
CID 13423752
bis(chlorocopper(1+));bis(2,4-ditert-butyl-6-(pyridin-2-ylmethylideneamino)phenolate)
CID 71492034
3,6-ditert-butylbenzene-1,2-diolate;N-(2,5-ditert-butylphenyl)-1-pyridin-2-ylmethanimine;nickel(2+)
CID 158275751
bis(copper(1+));3,6-ditert-butylbenzene-1,2-diolate;N-(2,6-dimethylphenyl)-1-pyridin-2-ylmethanimine
CID 158112797
2-tert-butylquinolin-8-amine
CID 119094982
N-[7-(8H-naphthalen-8-id-1-yl)-8H-naphthalen-8-id-1-yl]-1-pyridin-2-ylmethanimine;platinum(2+)
CID 58233097

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylquinolin-8-yl)-1-pyridin-2-ylmethanimine?
The IUPAC name of N-(2-tert-butylquinolin-8-yl)-1-pyridin-2-ylmethanimine (CID 101430447) is N-(2-tert-butylquinolin-8-yl)-1-pyridin-2-ylmethanimine.
What is the SMILES notation for N-(2-tert-butylquinolin-8-yl)-1-pyridin-2-ylmethanimine?
The canonical SMILES for N-(2-tert-butylquinolin-8-yl)-1-pyridin-2-ylmethanimine is CC(C)(C)c1ccc2cccc(/N=C/c3ccccn3)c2n1.
What is the InChIKey of N-(2-tert-butylquinolin-8-yl)-1-pyridin-2-ylmethanimine?
The InChIKey is GCHBDVMWQXDZGG-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H19N3/c1-19(2,3)17-11-10-14-7-6-9-16(18(14)22-17)21-13-15-8-4-5-12-20-15/h4-13H,1-3H3/b21-13+.
What are the key properties of N-(2-tert-butylquinolin-8-yl)-1-pyridin-2-ylmethanimine?
N-(2-tert-butylquinolin-8-yl)-1-pyridin-2-ylmethanimine has a molecular weight of 289.38 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylquinolin-8-yl)-1-pyridin-2-ylmethanimine is sourced from PubChem (CID 101430447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).