8-(6-methylheptoxy)quinolin-2-amine

C17H24N2O — CID 70038087

IUPAC8-(6-methylheptoxy)quinolin-2-amine
SMILESCC(C)CCCCCOc1cccc2ccc(N)nc12
InChIInChI=1S/C17H24N2O/c1-13(2)7-4-3-5-12-20-15-9-6-8-14-10-11-16(18)19-17(14)15/h6,8-11,13H,3-5,7,12H2,1-2H3,(H2,18,19)
InChIKeyLNVZHCGZVFLXRI-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.41
Rot. Bonds7

About 8-(6-methylheptoxy)quinolin-2-amine

8-(6-methylheptoxy)quinolin-2-amine (PubChem CID 70038087) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 8-(6-methylheptoxy)quinolin-2-amine.

Molecular Properties

Compound Name8-(6-methylheptoxy)quinolin-2-amine
PubChem CID70038087
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name8-(6-methylheptoxy)quinolin-2-amine
SMILESCC(C)CCCCCOc1cccc2ccc(N)nc12
InChIInChI=1S/C17H24N2O/c1-13(2)7-4-3-5-12-20-15-9-6-8-14-10-11-16(18)19-17(14)15/h6,8-11,13H,3-5,7,12H2,1-2H3,(H2,18,19)
InChIKeyLNVZHCGZVFLXRI-UHFFFAOYSA-N
XLogP4.41
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(6-methylheptoxy)quinolin-2-amine?
The IUPAC name of 8-(6-methylheptoxy)quinolin-2-amine (CID 70038087) is 8-(6-methylheptoxy)quinolin-2-amine.
What is the SMILES notation for 8-(6-methylheptoxy)quinolin-2-amine?
The canonical SMILES for 8-(6-methylheptoxy)quinolin-2-amine is CC(C)CCCCCOc1cccc2ccc(N)nc12.
What is the InChIKey of 8-(6-methylheptoxy)quinolin-2-amine?
The InChIKey is LNVZHCGZVFLXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13(2)7-4-3-5-12-20-15-9-6-8-14-10-11-16(18)19-17(14)15/h6,8-11,13H,3-5,7,12H2,1-2H3,(H2,18,19).
What are the key properties of 8-(6-methylheptoxy)quinolin-2-amine?
8-(6-methylheptoxy)quinolin-2-amine has a molecular weight of 272.39 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-methylheptoxy)quinolin-2-amine is sourced from PubChem (CID 70038087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).