2-tert-butyl-6,8-dimethylquinolin-4-amine

C15H20N2 — CID 62201635

IUPAC2-tert-butyl-6,8-dimethylquinolin-4-amine
SMILESCc1cc(C)c2nc(C(C)(C)C)cc(N)c2c1
InChIInChI=1S/C15H20N2/c1-9-6-10(2)14-11(7-9)12(16)8-13(17-14)15(3,4)5/h6-8H,1-5H3,(H2,16,17)
InChIKeyPZDPRVBIHIPAAZ-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.73
Rot. Bonds

About 2-tert-butyl-6,8-dimethylquinolin-4-amine

2-tert-butyl-6,8-dimethylquinolin-4-amine (PubChem CID 62201635) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-tert-butyl-6,8-dimethylquinolin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6,8-dimethylquinolin-4-amine
PubChem CID62201635
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name2-tert-butyl-6,8-dimethylquinolin-4-amine
SMILESCc1cc(C)c2nc(C(C)(C)C)cc(N)c2c1
InChIInChI=1S/C15H20N2/c1-9-6-10(2)14-11(7-9)12(16)8-13(17-14)15(3,4)5/h6-8H,1-5H3,(H2,16,17)
InChIKeyPZDPRVBIHIPAAZ-UHFFFAOYSA-N
XLogP3.73
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6,8-dimethylquinolin-4-amine?
The IUPAC name of 2-tert-butyl-6,8-dimethylquinolin-4-amine (CID 62201635) is 2-tert-butyl-6,8-dimethylquinolin-4-amine.
What is the SMILES notation for 2-tert-butyl-6,8-dimethylquinolin-4-amine?
The canonical SMILES for 2-tert-butyl-6,8-dimethylquinolin-4-amine is Cc1cc(C)c2nc(C(C)(C)C)cc(N)c2c1.
What is the InChIKey of 2-tert-butyl-6,8-dimethylquinolin-4-amine?
The InChIKey is PZDPRVBIHIPAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-9-6-10(2)14-11(7-9)12(16)8-13(17-14)15(3,4)5/h6-8H,1-5H3,(H2,16,17).
What are the key properties of 2-tert-butyl-6,8-dimethylquinolin-4-amine?
2-tert-butyl-6,8-dimethylquinolin-4-amine has a molecular weight of 228.34 g/mol, XLogP of 3.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6,8-dimethylquinolin-4-amine is sourced from PubChem (CID 62201635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).