8-butoxyquinolin-2-amine

C13H16N2O — CID 10443307

IUPAC8-butoxyquinolin-2-amine
SMILESCCCCOc1cccc2ccc(N)nc12
InChIInChI=1S/C13H16N2O/c1-2-3-9-16-11-6-4-5-10-7-8-12(14)15-13(10)11/h4-8H,2-3,9H2,1H3,(H2,14,15)
InChIKeyRANHBKGFWNIVKN-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.00
Rot. Bonds4

About 8-butoxyquinolin-2-amine

8-butoxyquinolin-2-amine (PubChem CID 10443307) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 8-butoxyquinolin-2-amine.

Molecular Properties

Compound Name8-butoxyquinolin-2-amine
PubChem CID10443307
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name8-butoxyquinolin-2-amine
SMILESCCCCOc1cccc2ccc(N)nc12
InChIInChI=1S/C13H16N2O/c1-2-3-9-16-11-6-4-5-10-7-8-12(14)15-13(10)11/h4-8H,2-3,9H2,1H3,(H2,14,15)
InChIKeyRANHBKGFWNIVKN-UHFFFAOYSA-N
XLogP3.00
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.00
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-butoxyquinolin-2-amine?
The IUPAC name of 8-butoxyquinolin-2-amine (CID 10443307) is 8-butoxyquinolin-2-amine.
What is the SMILES notation for 8-butoxyquinolin-2-amine?
The canonical SMILES for 8-butoxyquinolin-2-amine is CCCCOc1cccc2ccc(N)nc12.
What is the InChIKey of 8-butoxyquinolin-2-amine?
The InChIKey is RANHBKGFWNIVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-3-9-16-11-6-4-5-10-7-8-12(14)15-13(10)11/h4-8H,2-3,9H2,1H3,(H2,14,15).
What are the key properties of 8-butoxyquinolin-2-amine?
8-butoxyquinolin-2-amine has a molecular weight of 216.28 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butoxyquinolin-2-amine is sourced from PubChem (CID 10443307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).