N-(2-tert-butylphenyl)-1-quinolin-2-ylmethanimine

C20H20N2 — CID 1235169

IUPACN-(2-tert-butylphenyl)-1-quinolin-2-ylmethanimine
SMILESCC(C)(C)c1ccccc1/N=C/c1ccc2ccccc2n1
InChIInChI=1S/C20H20N2/c1-20(2,3)17-9-5-7-11-19(17)21-14-16-13-12-15-8-4-6-10-18(15)22-16/h4-14H,1-3H3/b21-14+
InChIKeyOYBFMRJSFUSTRE-KGENOOAVSA-N
MW288.39 g/mol
LogP5.28
Rot. Bonds2

About N-(2-tert-butylphenyl)-1-quinolin-2-ylmethanimine

N-(2-tert-butylphenyl)-1-quinolin-2-ylmethanimine (PubChem CID 1235169) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-1-quinolin-2-ylmethanimine.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-1-quinolin-2-ylmethanimine
PubChem CID1235169
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC NameN-(2-tert-butylphenyl)-1-quinolin-2-ylmethanimine
SMILESCC(C)(C)c1ccccc1/N=C/c1ccc2ccccc2n1
InChIInChI=1S/C20H20N2/c1-20(2,3)17-9-5-7-11-19(17)21-14-16-13-12-15-8-4-6-10-18(15)22-16/h4-14H,1-3H3/b21-14+
InChIKeyOYBFMRJSFUSTRE-KGENOOAVSA-N
XLogP5.28
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-1-quinolin-2-ylmethanimine?
The IUPAC name of N-(2-tert-butylphenyl)-1-quinolin-2-ylmethanimine (CID 1235169) is N-(2-tert-butylphenyl)-1-quinolin-2-ylmethanimine.
What is the SMILES notation for N-(2-tert-butylphenyl)-1-quinolin-2-ylmethanimine?
The canonical SMILES for N-(2-tert-butylphenyl)-1-quinolin-2-ylmethanimine is CC(C)(C)c1ccccc1/N=C/c1ccc2ccccc2n1.
What is the InChIKey of N-(2-tert-butylphenyl)-1-quinolin-2-ylmethanimine?
The InChIKey is OYBFMRJSFUSTRE-KGENOOAVSA-N. The full InChI is InChI=1S/C20H20N2/c1-20(2,3)17-9-5-7-11-19(17)21-14-16-13-12-15-8-4-6-10-18(15)22-16/h4-14H,1-3H3/b21-14+.
What are the key properties of N-(2-tert-butylphenyl)-1-quinolin-2-ylmethanimine?
N-(2-tert-butylphenyl)-1-quinolin-2-ylmethanimine has a molecular weight of 288.39 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-1-quinolin-2-ylmethanimine is sourced from PubChem (CID 1235169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).