1-(6-ethyl-2,8-diazaspiro[4.5]decan-3-yl)ethanone

C12H22N2O — CID 58436635

IUPAC1-(6-ethyl-2,8-diazaspiro[4.5]decan-3-yl)ethanone
SMILESCCC1CNCCC12CNC(C(C)=O)C2
InChIInChI=1S/C12H22N2O/c1-3-10-7-13-5-4-12(10)6-11(9(2)15)14-8-12/h10-11,13-14H,3-8H2,1-2H3
InChIKeySKJJLIVFHJIBEY-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.94
Rot. Bonds2

About 1-(6-ethyl-2,8-diazaspiro[4.5]decan-3-yl)ethanone

1-(6-ethyl-2,8-diazaspiro[4.5]decan-3-yl)ethanone (PubChem CID 58436635) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(6-ethyl-2,8-diazaspiro[4.5]decan-3-yl)ethanone.

Molecular Properties

Compound Name1-(6-ethyl-2,8-diazaspiro[4.5]decan-3-yl)ethanone
PubChem CID58436635
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-(6-ethyl-2,8-diazaspiro[4.5]decan-3-yl)ethanone
SMILESCCC1CNCCC12CNC(C(C)=O)C2
InChIInChI=1S/C12H22N2O/c1-3-10-7-13-5-4-12(10)6-11(9(2)15)14-8-12/h10-11,13-14H,3-8H2,1-2H3
InChIKeySKJJLIVFHJIBEY-UHFFFAOYSA-N
XLogP0.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-2,8-diazaspiro[4.5]decan-3-yl)ethanone?
The IUPAC name of 1-(6-ethyl-2,8-diazaspiro[4.5]decan-3-yl)ethanone (CID 58436635) is 1-(6-ethyl-2,8-diazaspiro[4.5]decan-3-yl)ethanone.
What is the SMILES notation for 1-(6-ethyl-2,8-diazaspiro[4.5]decan-3-yl)ethanone?
The canonical SMILES for 1-(6-ethyl-2,8-diazaspiro[4.5]decan-3-yl)ethanone is CCC1CNCCC12CNC(C(C)=O)C2.
What is the InChIKey of 1-(6-ethyl-2,8-diazaspiro[4.5]decan-3-yl)ethanone?
The InChIKey is SKJJLIVFHJIBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-10-7-13-5-4-12(10)6-11(9(2)15)14-8-12/h10-11,13-14H,3-8H2,1-2H3.
What are the key properties of 1-(6-ethyl-2,8-diazaspiro[4.5]decan-3-yl)ethanone?
1-(6-ethyl-2,8-diazaspiro[4.5]decan-3-yl)ethanone has a molecular weight of 210.32 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-2,8-diazaspiro[4.5]decan-3-yl)ethanone is sourced from PubChem (CID 58436635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).