8-(4,4-dimethylpentan-2-yloxy)quinolin-2-amine

C16H22N2O — CID 10083869

IUPAC8-(4,4-dimethylpentan-2-yloxy)quinolin-2-amine
SMILESCC(CC(C)(C)C)Oc1cccc2ccc(N)nc12
InChIInChI=1S/C16H22N2O/c1-11(10-16(2,3)4)19-13-7-5-6-12-8-9-14(17)18-15(12)13/h5-9,11H,10H2,1-4H3,(H2,17,18)
InChIKeyZDVPLVAZUCNXKZ-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.02
Rot. Bonds3

About 8-(4,4-dimethylpentan-2-yloxy)quinolin-2-amine

8-(4,4-dimethylpentan-2-yloxy)quinolin-2-amine (PubChem CID 10083869) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 8-(4,4-dimethylpentan-2-yloxy)quinolin-2-amine.

Molecular Properties

Compound Name8-(4,4-dimethylpentan-2-yloxy)quinolin-2-amine
PubChem CID10083869
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name8-(4,4-dimethylpentan-2-yloxy)quinolin-2-amine
SMILESCC(CC(C)(C)C)Oc1cccc2ccc(N)nc12
InChIInChI=1S/C16H22N2O/c1-11(10-16(2,3)4)19-13-7-5-6-12-8-9-14(17)18-15(12)13/h5-9,11H,10H2,1-4H3,(H2,17,18)
InChIKeyZDVPLVAZUCNXKZ-UHFFFAOYSA-N
XLogP4.02
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(4,4-dimethylpentan-2-yloxy)quinolin-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)quinolin-2-amine?
The IUPAC name of 8-(4,4-dimethylpentan-2-yloxy)quinolin-2-amine (CID 10083869) is 8-(4,4-dimethylpentan-2-yloxy)quinolin-2-amine.
What is the SMILES notation for 8-(4,4-dimethylpentan-2-yloxy)quinolin-2-amine?
The canonical SMILES for 8-(4,4-dimethylpentan-2-yloxy)quinolin-2-amine is CC(CC(C)(C)C)Oc1cccc2ccc(N)nc12.
What is the InChIKey of 8-(4,4-dimethylpentan-2-yloxy)quinolin-2-amine?
The InChIKey is ZDVPLVAZUCNXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11(10-16(2,3)4)19-13-7-5-6-12-8-9-14(17)18-15(12)13/h5-9,11H,10H2,1-4H3,(H2,17,18).
What are the key properties of 8-(4,4-dimethylpentan-2-yloxy)quinolin-2-amine?
8-(4,4-dimethylpentan-2-yloxy)quinolin-2-amine has a molecular weight of 258.36 g/mol, XLogP of 4.02, 3 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)quinolin-2-amine is sourced from PubChem (CID 10083869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).