6-(2-butoxyethyl)-5-cyclopentyl-4,6-diazaspiro[2.4]heptan-7-one

C16H28N2O2 — CID 83253351

IUPAC6-(2-butoxyethyl)-5-cyclopentyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCCOCCN1C(=O)C2(CC2)NC1C1CCCC1
InChIInChI=1S/C16H28N2O2/c1-2-3-11-20-12-10-18-14(13-6-4-5-7-13)17-16(8-9-16)15(18)19/h13-14,17H,2-12H2,1H3
InChIKeyHYEABLLLCYJWNG-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.28
Rot. Bonds7

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

6-(2-butoxyethyl)-5-cyclopentyl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83253351) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 6-(2-butoxyethyl)-5-cyclopentyl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(2-butoxyethyl)-5-cyclopentyl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83253351
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name6-(2-butoxyethyl)-5-cyclopentyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCCOCCN1C(=O)C2(CC2)NC1C1CCCC1
InChIInChI=1S/C16H28N2O2/c1-2-3-11-20-12-10-18-14(13-6-4-5-7-13)17-16(8-9-16)15(18)19/h13-14,17H,2-12H2,1H3
InChIKeyHYEABLLLCYJWNG-UHFFFAOYSA-N
XLogP2.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-cyclopentyl-6-(3-propoxypropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83260733
5-cyclopentyl-6-octyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83270056
3-(2-butoxyethyl)-2-cyclopentyl-5-ethyl-5-methylimidazolidin-4-one
CID 83253164
2-cyclopentyl-3-(2-methylsulfanylethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83257871
5-cyclopentyl-6-(3-methyl-2-propan-2-ylbutyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 102916097
5-cyclopentyl-6-[(1-methylpyrrolidin-3-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83245762
6-(2-cyclohexyloxyethyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83264366
6-butyl-5-methyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83238133
9-(2-butoxyethyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115947657
2-cyclopentyl-5-ethyl-5-methyl-3-(2-propan-2-yloxyethyl)imidazolidin-4-one
CID 104767617
2-cyclopentyl-5-ethyl-3-(4-methoxybutyl)-5-methylimidazolidin-4-one
CID 83244840
4-(2-butoxyethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 115947658

Frequently Asked Questions

What is the IUPAC name of 6-(2-butoxyethyl)-5-cyclopentyl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(2-butoxyethyl)-5-cyclopentyl-4,6-diazaspiro[2.4]heptan-7-one (CID 83253351) is 6-(2-butoxyethyl)-5-cyclopentyl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(2-butoxyethyl)-5-cyclopentyl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(2-butoxyethyl)-5-cyclopentyl-4,6-diazaspiro[2.4]heptan-7-one is CCCCOCCN1C(=O)C2(CC2)NC1C1CCCC1.
What is the InChIKey of 6-(2-butoxyethyl)-5-cyclopentyl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is HYEABLLLCYJWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-2-3-11-20-12-10-18-14(13-6-4-5-7-13)17-16(8-9-16)15(18)19/h13-14,17H,2-12H2,1H3.
What are the key properties of 6-(2-butoxyethyl)-5-cyclopentyl-4,6-diazaspiro[2.4]heptan-7-one?
6-(2-butoxyethyl)-5-cyclopentyl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 280.41 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-butoxyethyl)-5-cyclopentyl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83253351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).