8-(4-ethylhexan-3-yloxy)quinolin-2-amine

C17H24N2O — CID 10016093

IUPAC8-(4-ethylhexan-3-yloxy)quinolin-2-amine
SMILESCCC(CC)C(CC)Oc1cccc2ccc(N)nc12
InChIInChI=1S/C17H24N2O/c1-4-12(5-2)14(6-3)20-15-9-7-8-13-10-11-16(18)19-17(13)15/h7-12,14H,4-6H2,1-3H3,(H2,18,19)
InChIKeyGGKOMICFVNBEDV-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.41
Rot. Bonds6

About 8-(4-ethylhexan-3-yloxy)quinolin-2-amine

8-(4-ethylhexan-3-yloxy)quinolin-2-amine (PubChem CID 10016093) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 8-(4-ethylhexan-3-yloxy)quinolin-2-amine.

Molecular Properties

Compound Name8-(4-ethylhexan-3-yloxy)quinolin-2-amine
PubChem CID10016093
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name8-(4-ethylhexan-3-yloxy)quinolin-2-amine
SMILESCCC(CC)C(CC)Oc1cccc2ccc(N)nc12
InChIInChI=1S/C17H24N2O/c1-4-12(5-2)14(6-3)20-15-9-7-8-13-10-11-16(18)19-17(13)15/h7-12,14H,4-6H2,1-3H3,(H2,18,19)
InChIKeyGGKOMICFVNBEDV-UHFFFAOYSA-N
XLogP4.41
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(4-ethylhexan-3-yloxy)quinolin-2-amine?
The IUPAC name of 8-(4-ethylhexan-3-yloxy)quinolin-2-amine (CID 10016093) is 8-(4-ethylhexan-3-yloxy)quinolin-2-amine.
What is the SMILES notation for 8-(4-ethylhexan-3-yloxy)quinolin-2-amine?
The canonical SMILES for 8-(4-ethylhexan-3-yloxy)quinolin-2-amine is CCC(CC)C(CC)Oc1cccc2ccc(N)nc12.
What is the InChIKey of 8-(4-ethylhexan-3-yloxy)quinolin-2-amine?
The InChIKey is GGKOMICFVNBEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-12(5-2)14(6-3)20-15-9-7-8-13-10-11-16(18)19-17(13)15/h7-12,14H,4-6H2,1-3H3,(H2,18,19).
What are the key properties of 8-(4-ethylhexan-3-yloxy)quinolin-2-amine?
8-(4-ethylhexan-3-yloxy)quinolin-2-amine has a molecular weight of 272.39 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-ethylhexan-3-yloxy)quinolin-2-amine is sourced from PubChem (CID 10016093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).