2-(oxan-4-yl)pyridin-4-amine

C10H14N2O — CID 58962705

IUPAC2-(oxan-4-yl)pyridin-4-amine
SMILESNc1ccnc(C2CCOCC2)c1
InChIInChI=1S/C10H14N2O/c11-9-1-4-12-10(7-9)8-2-5-13-6-3-8/h1,4,7-8H,2-3,5-6H2,(H2,11,12)
InChIKeyOWYLWJWVTYHWJP-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.56
Rot. Bonds1

About 2-(oxan-4-yl)pyridin-4-amine

2-(oxan-4-yl)pyridin-4-amine (PubChem CID 58962705) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-(oxan-4-yl)pyridin-4-amine.

Molecular Properties

Compound Name2-(oxan-4-yl)pyridin-4-amine
PubChem CID58962705
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name2-(oxan-4-yl)pyridin-4-amine
SMILESNc1ccnc(C2CCOCC2)c1
InChIInChI=1S/C10H14N2O/c11-9-1-4-12-10(7-9)8-2-5-13-6-3-8/h1,4,7-8H,2-3,5-6H2,(H2,11,12)
InChIKeyOWYLWJWVTYHWJP-UHFFFAOYSA-N
XLogP1.56
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)pyridin-4-amine?
The IUPAC name of 2-(oxan-4-yl)pyridin-4-amine (CID 58962705) is 2-(oxan-4-yl)pyridin-4-amine.
What is the SMILES notation for 2-(oxan-4-yl)pyridin-4-amine?
The canonical SMILES for 2-(oxan-4-yl)pyridin-4-amine is Nc1ccnc(C2CCOCC2)c1.
What is the InChIKey of 2-(oxan-4-yl)pyridin-4-amine?
The InChIKey is OWYLWJWVTYHWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c11-9-1-4-12-10(7-9)8-2-5-13-6-3-8/h1,4,7-8H,2-3,5-6H2,(H2,11,12).
What are the key properties of 2-(oxan-4-yl)pyridin-4-amine?
2-(oxan-4-yl)pyridin-4-amine has a molecular weight of 178.24 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)pyridin-4-amine is sourced from PubChem (CID 58962705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).