3-decyl-1,3-diazaspiro[4.4]nonan-4-one

C17H32N2O — CID 83270884

IUPAC3-decyl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCCCCCCCCCN1CNC2(CCCC2)C1=O
InChIInChI=1S/C17H32N2O/c1-2-3-4-5-6-7-8-11-14-19-15-18-17(16(19)20)12-9-10-13-17/h18H,2-15H2,1H3
InChIKeyPRQCYNDEAGNOBT-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.83
Rot. Bonds9

About 3-decyl-1,3-diazaspiro[4.4]nonan-4-one

3-decyl-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83270884) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 3-decyl-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-decyl-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83270884
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name3-decyl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCCCCCCCCCN1CNC2(CCCC2)C1=O
InChIInChI=1S/C17H32N2O/c1-2-3-4-5-6-7-8-11-14-19-15-18-17(16(19)20)12-9-10-13-17/h18H,2-15H2,1H3
InChIKeyPRQCYNDEAGNOBT-UHFFFAOYSA-N
XLogP3.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(5,5,5-trifluoropentyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83260126
6-(3-methylsulfanylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83256993
3-(2-piperidin-1-ylethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83246101
3-[2-[butan-2-yl(methyl)amino]ethyl]-1,3-diazaspiro[4.4]nonan-4-one
CID 114134810
3-(2-morpholin-4-ylethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83251544
3-[2-[2-(dimethylamino)ethoxy]ethyl]-1,3-diazaspiro[4.4]nonan-4-one
CID 114128162
3-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-diazaspiro[4.4]nonan-4-one
CID 83257748
3-[(4-methylcyclohexyl)methyl]-1,3-diazaspiro[4.4]nonan-4-one
CID 83254362
6-[(1-methylcyclopentyl)methyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83257758
3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-diazaspiro[4.4]nonan-4-one
CID 83238067
2-ethyl-2,6-diazaspiro[4.5]decan-1-one
CID 105440216
8-methyl-9-octyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886104

Frequently Asked Questions

What is the IUPAC name of 3-decyl-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-decyl-1,3-diazaspiro[4.4]nonan-4-one (CID 83270884) is 3-decyl-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-decyl-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-decyl-1,3-diazaspiro[4.4]nonan-4-one is CCCCCCCCCCN1CNC2(CCCC2)C1=O.
What is the InChIKey of 3-decyl-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is PRQCYNDEAGNOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-2-3-4-5-6-7-8-11-14-19-15-18-17(16(19)20)12-9-10-13-17/h18H,2-15H2,1H3.
What are the key properties of 3-decyl-1,3-diazaspiro[4.4]nonan-4-one?
3-decyl-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 280.46 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decyl-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83270884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).