8-(4,4-dimethylpentan-2-yloxy)-N-methylquinolin-2-amine

C17H24N2O — CID 11778029

IUPAC8-(4,4-dimethylpentan-2-yloxy)-N-methylquinolin-2-amine
SMILESCNc1ccc2cccc(OC(C)CC(C)(C)C)c2n1
InChIInChI=1S/C17H24N2O/c1-12(11-17(2,3)4)20-14-8-6-7-13-9-10-15(18-5)19-16(13)14/h6-10,12H,11H2,1-5H3,(H,18,19)
InChIKeyPXTDASDBFFAWDT-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.48
Rot. Bonds4

About 8-(4,4-dimethylpentan-2-yloxy)-N-methylquinolin-2-amine

8-(4,4-dimethylpentan-2-yloxy)-N-methylquinolin-2-amine (PubChem CID 11778029) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 8-(4,4-dimethylpentan-2-yloxy)-N-methylquinolin-2-amine.

Molecular Properties

Compound Name8-(4,4-dimethylpentan-2-yloxy)-N-methylquinolin-2-amine
PubChem CID11778029
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name8-(4,4-dimethylpentan-2-yloxy)-N-methylquinolin-2-amine
SMILESCNc1ccc2cccc(OC(C)CC(C)(C)C)c2n1
InChIInChI=1S/C17H24N2O/c1-12(11-17(2,3)4)20-14-8-6-7-13-9-10-15(18-5)19-16(13)14/h6-10,12H,11H2,1-5H3,(H,18,19)
InChIKeyPXTDASDBFFAWDT-UHFFFAOYSA-N
XLogP4.48
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(4,4-dimethylpentan-2-yloxy)-N-methylquinolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(4,4-dimethylpentan-2-yloxy)-N-methylquinolin-2-amine?
The IUPAC name of 8-(4,4-dimethylpentan-2-yloxy)-N-methylquinolin-2-amine (CID 11778029) is 8-(4,4-dimethylpentan-2-yloxy)-N-methylquinolin-2-amine.
What is the SMILES notation for 8-(4,4-dimethylpentan-2-yloxy)-N-methylquinolin-2-amine?
The canonical SMILES for 8-(4,4-dimethylpentan-2-yloxy)-N-methylquinolin-2-amine is CNc1ccc2cccc(OC(C)CC(C)(C)C)c2n1.
What is the InChIKey of 8-(4,4-dimethylpentan-2-yloxy)-N-methylquinolin-2-amine?
The InChIKey is PXTDASDBFFAWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12(11-17(2,3)4)20-14-8-6-7-13-9-10-15(18-5)19-16(13)14/h6-10,12H,11H2,1-5H3,(H,18,19).
What are the key properties of 8-(4,4-dimethylpentan-2-yloxy)-N-methylquinolin-2-amine?
8-(4,4-dimethylpentan-2-yloxy)-N-methylquinolin-2-amine has a molecular weight of 272.39 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,4-dimethylpentan-2-yloxy)-N-methylquinolin-2-amine is sourced from PubChem (CID 11778029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).