3,6-ditert-butyl-N-methylquinolin-2-amine

C18H26N2 — CID 63382437

IUPAC3,6-ditert-butyl-N-methylquinolin-2-amine
SMILESCNc1nc2ccc(C(C)(C)C)cc2cc1C(C)(C)C
InChIInChI=1S/C18H26N2/c1-17(2,3)13-8-9-15-12(10-13)11-14(18(4,5)6)16(19-7)20-15/h8-11H,1-7H3,(H,19,20)
InChIKeyZWQWKILTJLIKAW-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.87
Rot. Bonds1

About 3,6-ditert-butyl-N-methylquinolin-2-amine

3,6-ditert-butyl-N-methylquinolin-2-amine (PubChem CID 63382437) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 3,6-ditert-butyl-N-methylquinolin-2-amine.

Molecular Properties

Compound Name3,6-ditert-butyl-N-methylquinolin-2-amine
PubChem CID63382437
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name3,6-ditert-butyl-N-methylquinolin-2-amine
SMILESCNc1nc2ccc(C(C)(C)C)cc2cc1C(C)(C)C
InChIInChI=1S/C18H26N2/c1-17(2,3)13-8-9-15-12(10-13)11-14(18(4,5)6)16(19-7)20-15/h8-11H,1-7H3,(H,19,20)
InChIKeyZWQWKILTJLIKAW-UHFFFAOYSA-N
XLogP4.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-N-methylquinolin-2-amine?
The IUPAC name of 3,6-ditert-butyl-N-methylquinolin-2-amine (CID 63382437) is 3,6-ditert-butyl-N-methylquinolin-2-amine.
What is the SMILES notation for 3,6-ditert-butyl-N-methylquinolin-2-amine?
The canonical SMILES for 3,6-ditert-butyl-N-methylquinolin-2-amine is CNc1nc2ccc(C(C)(C)C)cc2cc1C(C)(C)C.
What is the InChIKey of 3,6-ditert-butyl-N-methylquinolin-2-amine?
The InChIKey is ZWQWKILTJLIKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-17(2,3)13-8-9-15-12(10-13)11-14(18(4,5)6)16(19-7)20-15/h8-11H,1-7H3,(H,19,20).
What are the key properties of 3,6-ditert-butyl-N-methylquinolin-2-amine?
3,6-ditert-butyl-N-methylquinolin-2-amine has a molecular weight of 270.42 g/mol, XLogP of 4.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-N-methylquinolin-2-amine is sourced from PubChem (CID 63382437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).