3-tert-butyl-N,6-dimethylquinolin-2-amine

C15H20N2 — CID 63382237

IUPAC3-tert-butyl-N,6-dimethylquinolin-2-amine
SMILESCNc1nc2ccc(C)cc2cc1C(C)(C)C
InChIInChI=1S/C15H20N2/c1-10-6-7-13-11(8-10)9-12(15(2,3)4)14(16-5)17-13/h6-9H,1-5H3,(H,16,17)
InChIKeyXAMZKVXEPQHDGY-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.88
Rot. Bonds1

About 3-tert-butyl-N,6-dimethylquinolin-2-amine

3-tert-butyl-N,6-dimethylquinolin-2-amine (PubChem CID 63382237) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-tert-butyl-N,6-dimethylquinolin-2-amine.

Molecular Properties

Compound Name3-tert-butyl-N,6-dimethylquinolin-2-amine
PubChem CID63382237
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name3-tert-butyl-N,6-dimethylquinolin-2-amine
SMILESCNc1nc2ccc(C)cc2cc1C(C)(C)C
InChIInChI=1S/C15H20N2/c1-10-6-7-13-11(8-10)9-12(15(2,3)4)14(16-5)17-13/h6-9H,1-5H3,(H,16,17)
InChIKeyXAMZKVXEPQHDGY-UHFFFAOYSA-N
XLogP3.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N,6-dimethylquinolin-2-amine?
The IUPAC name of 3-tert-butyl-N,6-dimethylquinolin-2-amine (CID 63382237) is 3-tert-butyl-N,6-dimethylquinolin-2-amine.
What is the SMILES notation for 3-tert-butyl-N,6-dimethylquinolin-2-amine?
The canonical SMILES for 3-tert-butyl-N,6-dimethylquinolin-2-amine is CNc1nc2ccc(C)cc2cc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-N,6-dimethylquinolin-2-amine?
The InChIKey is XAMZKVXEPQHDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-10-6-7-13-11(8-10)9-12(15(2,3)4)14(16-5)17-13/h6-9H,1-5H3,(H,16,17).
What are the key properties of 3-tert-butyl-N,6-dimethylquinolin-2-amine?
3-tert-butyl-N,6-dimethylquinolin-2-amine has a molecular weight of 228.34 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N,6-dimethylquinolin-2-amine is sourced from PubChem (CID 63382237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).