6-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine

C14H19FN2O — CID 133377622

IUPAC6-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine
SMILESFc1cccc(NC2CCOC3(CCCC3)C2)n1
InChIInChI=1S/C14H19FN2O/c15-12-4-3-5-13(17-12)16-11-6-9-18-14(10-11)7-1-2-8-14/h3-5,11H,1-2,6-10H2,(H,16,17)
InChIKeyOKNRINQMAWSXHR-UHFFFAOYSA-N
MW250.32 g/mol
LogP3.12
Rot. Bonds2

About 6-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine

6-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine (PubChem CID 133377622) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 6-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine
PubChem CID133377622
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name6-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine
SMILESFc1cccc(NC2CCOC3(CCCC3)C2)n1
InChIInChI=1S/C14H19FN2O/c15-12-4-3-5-13(17-12)16-11-6-9-18-14(10-11)7-1-2-8-14/h3-5,11H,1-2,6-10H2,(H,16,17)
InChIKeyOKNRINQMAWSXHR-UHFFFAOYSA-N
XLogP3.12
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine?
The IUPAC name of 6-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine (CID 133377622) is 6-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine?
The canonical SMILES for 6-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine is Fc1cccc(NC2CCOC3(CCCC3)C2)n1.
What is the InChIKey of 6-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine?
The InChIKey is OKNRINQMAWSXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c15-12-4-3-5-13(17-12)16-11-6-9-18-14(10-11)7-1-2-8-14/h3-5,11H,1-2,6-10H2,(H,16,17).
What are the key properties of 6-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine?
6-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine has a molecular weight of 250.32 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine is sourced from PubChem (CID 133377622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).