8-(3,3-dimethylbutoxy)quinolin-2-amine

C15H20N2O — CID 10421933

IUPAC8-(3,3-dimethylbutoxy)quinolin-2-amine
SMILESCC(C)(C)CCOc1cccc2ccc(N)nc12
InChIInChI=1S/C15H20N2O/c1-15(2,3)9-10-18-12-6-4-5-11-7-8-13(16)17-14(11)12/h4-8H,9-10H2,1-3H3,(H2,16,17)
InChIKeyGUJKDUVYIJMAPL-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.63
Rot. Bonds3

About 8-(3,3-dimethylbutoxy)quinolin-2-amine

8-(3,3-dimethylbutoxy)quinolin-2-amine (PubChem CID 10421933) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 8-(3,3-dimethylbutoxy)quinolin-2-amine.

Molecular Properties

Compound Name8-(3,3-dimethylbutoxy)quinolin-2-amine
PubChem CID10421933
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name8-(3,3-dimethylbutoxy)quinolin-2-amine
SMILESCC(C)(C)CCOc1cccc2ccc(N)nc12
InChIInChI=1S/C15H20N2O/c1-15(2,3)9-10-18-12-6-4-5-11-7-8-13(16)17-14(11)12/h4-8H,9-10H2,1-3H3,(H2,16,17)
InChIKeyGUJKDUVYIJMAPL-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

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Frequently Asked Questions

What is the IUPAC name of 8-(3,3-dimethylbutoxy)quinolin-2-amine?
The IUPAC name of 8-(3,3-dimethylbutoxy)quinolin-2-amine (CID 10421933) is 8-(3,3-dimethylbutoxy)quinolin-2-amine.
What is the SMILES notation for 8-(3,3-dimethylbutoxy)quinolin-2-amine?
The canonical SMILES for 8-(3,3-dimethylbutoxy)quinolin-2-amine is CC(C)(C)CCOc1cccc2ccc(N)nc12.
What is the InChIKey of 8-(3,3-dimethylbutoxy)quinolin-2-amine?
The InChIKey is GUJKDUVYIJMAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-15(2,3)9-10-18-12-6-4-5-11-7-8-13(16)17-14(11)12/h4-8H,9-10H2,1-3H3,(H2,16,17).
What are the key properties of 8-(3,3-dimethylbutoxy)quinolin-2-amine?
8-(3,3-dimethylbutoxy)quinolin-2-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 8-(3,3-dimethylbutoxy)quinolin-2-amine is sourced from PubChem (CID 10421933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).