6-(2-cyclohexyloxyethyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one

C16H28N2O2 — CID 83264366

IUPAC6-(2-cyclohexyloxyethyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCC1NC2(CC2)C(=O)N1CCOC1CCCCC1
InChIInChI=1S/C16H28N2O2/c1-2-6-14-17-16(9-10-16)15(19)18(14)11-12-20-13-7-4-3-5-8-13/h13-14,17H,2-12H2,1H3
InChIKeyAEFILFDHGADDKL-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.43
Rot. Bonds6

About 6-(2-cyclohexyloxyethyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one

6-(2-cyclohexyloxyethyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83264366) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 6-(2-cyclohexyloxyethyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(2-cyclohexyloxyethyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83264366
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name6-(2-cyclohexyloxyethyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCC1NC2(CC2)C(=O)N1CCOC1CCCCC1
InChIInChI=1S/C16H28N2O2/c1-2-6-14-17-16(9-10-16)15(19)18(14)11-12-20-13-7-4-3-5-8-13/h13-14,17H,2-12H2,1H3
InChIKeyAEFILFDHGADDKL-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-cyclopentyloxyethyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83264491
6-(cyclopentylmethyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83244163
3-(2-cyclohexyloxyethyl)-2-propylimidazolidin-4-one
CID 83264060
6-(4-methylpentyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83258164
3-(2-cyclopentyloxyethyl)-2,5-dipropylimidazolidin-4-one
CID 83257422
3-(2-cyclopentyloxyethyl)-2,5-diethyl-5-methylimidazolidin-4-one
CID 83257914
6-(2-methylpropyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83242401
5-propyl-6-(3,3,3-trifluoropropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83254359
6-[2-[ethyl(methyl)amino]ethyl]-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83255546
3-(2-methylsulfonylethyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83256534
5-butyl-3-(2-cyclopentyloxyethyl)-2-propylimidazolidin-4-one
CID 83264500
5-propyl-6-(5,5,5-trifluoropentyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83260127

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclohexyloxyethyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(2-cyclohexyloxyethyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one (CID 83264366) is 6-(2-cyclohexyloxyethyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(2-cyclohexyloxyethyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(2-cyclohexyloxyethyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one is CCCC1NC2(CC2)C(=O)N1CCOC1CCCCC1.
What is the InChIKey of 6-(2-cyclohexyloxyethyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is AEFILFDHGADDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-2-6-14-17-16(9-10-16)15(19)18(14)11-12-20-13-7-4-3-5-8-13/h13-14,17H,2-12H2,1H3.
What are the key properties of 6-(2-cyclohexyloxyethyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one?
6-(2-cyclohexyloxyethyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 280.41 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclohexyloxyethyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83264366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).