9-[2-(oxan-4-yl)ethylamino]-5-azaspiro[3.5]nonan-6-one

C15H26N2O2 — CID 128507743

IUPAC9-[2-(oxan-4-yl)ethylamino]-5-azaspiro[3.5]nonan-6-one
SMILESO=C1CCC(NCCC2CCOCC2)C2(CCC2)N1
InChIInChI=1S/C15H26N2O2/c18-14-3-2-13(15(17-14)7-1-8-15)16-9-4-12-5-10-19-11-6-12/h12-13,16H,1-11H2,(H,17,18)
InChIKeyBZTOTHOSDCRHRE-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.59
Rot. Bonds4

About 9-[2-(oxan-4-yl)ethylamino]-5-azaspiro[3.5]nonan-6-one

9-[2-(oxan-4-yl)ethylamino]-5-azaspiro[3.5]nonan-6-one (PubChem CID 128507743) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 9-[2-(oxan-4-yl)ethylamino]-5-azaspiro[3.5]nonan-6-one.

Molecular Properties

Compound Name9-[2-(oxan-4-yl)ethylamino]-5-azaspiro[3.5]nonan-6-one
PubChem CID128507743
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name9-[2-(oxan-4-yl)ethylamino]-5-azaspiro[3.5]nonan-6-one
SMILESO=C1CCC(NCCC2CCOCC2)C2(CCC2)N1
InChIInChI=1S/C15H26N2O2/c18-14-3-2-13(15(17-14)7-1-8-15)16-9-4-12-5-10-19-11-6-12/h12-13,16H,1-11H2,(H,17,18)
InChIKeyBZTOTHOSDCRHRE-UHFFFAOYSA-N
XLogP1.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(oxan-4-yl)ethylamino]-5-azaspiro[3.5]nonan-6-one?
The IUPAC name of 9-[2-(oxan-4-yl)ethylamino]-5-azaspiro[3.5]nonan-6-one (CID 128507743) is 9-[2-(oxan-4-yl)ethylamino]-5-azaspiro[3.5]nonan-6-one.
What is the SMILES notation for 9-[2-(oxan-4-yl)ethylamino]-5-azaspiro[3.5]nonan-6-one?
The canonical SMILES for 9-[2-(oxan-4-yl)ethylamino]-5-azaspiro[3.5]nonan-6-one is O=C1CCC(NCCC2CCOCC2)C2(CCC2)N1.
What is the InChIKey of 9-[2-(oxan-4-yl)ethylamino]-5-azaspiro[3.5]nonan-6-one?
The InChIKey is BZTOTHOSDCRHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c18-14-3-2-13(15(17-14)7-1-8-15)16-9-4-12-5-10-19-11-6-12/h12-13,16H,1-11H2,(H,17,18).
What are the key properties of 9-[2-(oxan-4-yl)ethylamino]-5-azaspiro[3.5]nonan-6-one?
9-[2-(oxan-4-yl)ethylamino]-5-azaspiro[3.5]nonan-6-one has a molecular weight of 266.38 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(oxan-4-yl)ethylamino]-5-azaspiro[3.5]nonan-6-one is sourced from PubChem (CID 128507743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).