5-(3,3-dimethylbutoxy)quinolin-8-amine

C15H20N2O — CID 66233789

IUPAC5-(3,3-dimethylbutoxy)quinolin-8-amine
SMILESCC(C)(C)CCOc1ccc(N)c2ncccc12
InChIInChI=1S/C15H20N2O/c1-15(2,3)8-10-18-13-7-6-12(16)14-11(13)5-4-9-17-14/h4-7,9H,8,10,16H2,1-3H3
InChIKeyCYZHGFWEBTYNHK-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.63
Rot. Bonds3

About 5-(3,3-dimethylbutoxy)quinolin-8-amine

5-(3,3-dimethylbutoxy)quinolin-8-amine (PubChem CID 66233789) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-(3,3-dimethylbutoxy)quinolin-8-amine.

Molecular Properties

Compound Name5-(3,3-dimethylbutoxy)quinolin-8-amine
PubChem CID66233789
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name5-(3,3-dimethylbutoxy)quinolin-8-amine
SMILESCC(C)(C)CCOc1ccc(N)c2ncccc12
InChIInChI=1S/C15H20N2O/c1-15(2,3)8-10-18-13-7-6-12(16)14-11(13)5-4-9-17-14/h4-7,9H,8,10,16H2,1-3H3
InChIKeyCYZHGFWEBTYNHK-UHFFFAOYSA-N
XLogP3.63
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(methoxymethoxy)quinolin-8-amine
CID 116524711
5-(pyrimidin-2-ylmethoxy)quinolin-8-amine
CID 116524814
3-(3,3-dimethylbutoxy)pyridin-2-amine
CID 61481527
5-(8-aminoquinolin-5-yl)oxypentanenitrile
CID 116524781
5-(3-pyridin-4-ylpropoxy)quinolin-8-amine
CID 43449674
5-(3,3-dimethylbutoxy)quinoline
CID 59667943
5-propan-2-yloxyquinolin-8-amine
CID 43449641
2-(8-aminoquinolin-5-yl)oxyacetamide
CID 116524742
4-(4,4,4-trifluorobutoxy)quinolin-8-amine
CID 83060485
5-[(2,6-difluorophenyl)methoxy]quinolin-8-amine
CID 114929956
5-[(4-fluorophenyl)methoxy]quinolin-8-amine
CID 116524613
5-[(2,5-dimethylphenyl)methoxy]quinolin-8-amine
CID 116524807

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbutoxy)quinolin-8-amine?
The IUPAC name of 5-(3,3-dimethylbutoxy)quinolin-8-amine (CID 66233789) is 5-(3,3-dimethylbutoxy)quinolin-8-amine.
What is the SMILES notation for 5-(3,3-dimethylbutoxy)quinolin-8-amine?
The canonical SMILES for 5-(3,3-dimethylbutoxy)quinolin-8-amine is CC(C)(C)CCOc1ccc(N)c2ncccc12.
What is the InChIKey of 5-(3,3-dimethylbutoxy)quinolin-8-amine?
The InChIKey is CYZHGFWEBTYNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-15(2,3)8-10-18-13-7-6-12(16)14-11(13)5-4-9-17-14/h4-7,9H,8,10,16H2,1-3H3.
What are the key properties of 5-(3,3-dimethylbutoxy)quinolin-8-amine?
5-(3,3-dimethylbutoxy)quinolin-8-amine has a molecular weight of 244.34 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylbutoxy)quinolin-8-amine is sourced from PubChem (CID 66233789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).