8-(3-ethylpentan-2-yloxy)quinolin-2-amine

C16H22N2O — CID 10377822

IUPAC8-(3-ethylpentan-2-yloxy)quinolin-2-amine
SMILESCCC(CC)C(C)Oc1cccc2ccc(N)nc12
InChIInChI=1S/C16H22N2O/c1-4-12(5-2)11(3)19-14-8-6-7-13-9-10-15(17)18-16(13)14/h6-12H,4-5H2,1-3H3,(H2,17,18)
InChIKeyUMDWRYRCTHHCNV-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.02
Rot. Bonds5

About 8-(3-ethylpentan-2-yloxy)quinolin-2-amine

8-(3-ethylpentan-2-yloxy)quinolin-2-amine (PubChem CID 10377822) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 8-(3-ethylpentan-2-yloxy)quinolin-2-amine.

Molecular Properties

Compound Name8-(3-ethylpentan-2-yloxy)quinolin-2-amine
PubChem CID10377822
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name8-(3-ethylpentan-2-yloxy)quinolin-2-amine
SMILESCCC(CC)C(C)Oc1cccc2ccc(N)nc12
InChIInChI=1S/C16H22N2O/c1-4-12(5-2)11(3)19-14-8-6-7-13-9-10-15(17)18-16(13)14/h6-12H,4-5H2,1-3H3,(H2,17,18)
InChIKeyUMDWRYRCTHHCNV-UHFFFAOYSA-N
XLogP4.02
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 8-(3-ethylpentan-2-yloxy)quinolin-2-amine?
The IUPAC name of 8-(3-ethylpentan-2-yloxy)quinolin-2-amine (CID 10377822) is 8-(3-ethylpentan-2-yloxy)quinolin-2-amine.
What is the SMILES notation for 8-(3-ethylpentan-2-yloxy)quinolin-2-amine?
The canonical SMILES for 8-(3-ethylpentan-2-yloxy)quinolin-2-amine is CCC(CC)C(C)Oc1cccc2ccc(N)nc12.
What is the InChIKey of 8-(3-ethylpentan-2-yloxy)quinolin-2-amine?
The InChIKey is UMDWRYRCTHHCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-12(5-2)11(3)19-14-8-6-7-13-9-10-15(17)18-16(13)14/h6-12H,4-5H2,1-3H3,(H2,17,18).
What are the key properties of 8-(3-ethylpentan-2-yloxy)quinolin-2-amine?
8-(3-ethylpentan-2-yloxy)quinolin-2-amine has a molecular weight of 258.36 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-ethylpentan-2-yloxy)quinolin-2-amine is sourced from PubChem (CID 10377822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).