2,4-ditert-butylquinolin-8-amine

C17H24N2 — CID 153459078

IUPAC2,4-ditert-butylquinolin-8-amine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2cccc(N)c2n1
InChIInChI=1S/C17H24N2/c1-16(2,3)12-10-14(17(4,5)6)19-15-11(12)8-7-9-13(15)18/h7-10H,18H2,1-6H3
InChIKeyGBMGWNRAXCXERI-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.41
Rot. Bonds

About 2,4-ditert-butylquinolin-8-amine

2,4-ditert-butylquinolin-8-amine (PubChem CID 153459078) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2,4-ditert-butylquinolin-8-amine.

Molecular Properties

Compound Name2,4-ditert-butylquinolin-8-amine
PubChem CID153459078
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name2,4-ditert-butylquinolin-8-amine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2cccc(N)c2n1
InChIInChI=1S/C17H24N2/c1-16(2,3)12-10-14(17(4,5)6)19-15-11(12)8-7-9-13(15)18/h7-10H,18H2,1-6H3
InChIKeyGBMGWNRAXCXERI-UHFFFAOYSA-N
XLogP4.41
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butylquinolin-8-amine?
The IUPAC name of 2,4-ditert-butylquinolin-8-amine (CID 153459078) is 2,4-ditert-butylquinolin-8-amine.
What is the SMILES notation for 2,4-ditert-butylquinolin-8-amine?
The canonical SMILES for 2,4-ditert-butylquinolin-8-amine is CC(C)(C)c1cc(C(C)(C)C)c2cccc(N)c2n1.
What is the InChIKey of 2,4-ditert-butylquinolin-8-amine?
The InChIKey is GBMGWNRAXCXERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-16(2,3)12-10-14(17(4,5)6)19-15-11(12)8-7-9-13(15)18/h7-10H,18H2,1-6H3.
What are the key properties of 2,4-ditert-butylquinolin-8-amine?
2,4-ditert-butylquinolin-8-amine has a molecular weight of 256.39 g/mol, XLogP of 4.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butylquinolin-8-amine is sourced from PubChem (CID 153459078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).