3-(3-ethylpentan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one

C17H32N2O — CID 83258173

IUPAC3-(3-ethylpentan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCCC1NC2(CCCC2)C(=O)N1C(C)C(CC)CC
InChIInChI=1S/C17H32N2O/c1-5-10-15-18-17(11-8-9-12-17)16(20)19(15)13(4)14(6-2)7-3/h13-15,18H,5-12H2,1-4H3
InChIKeyKPVCGLCNIVALML-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.68
Rot. Bonds6

About 3-(3-ethylpentan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one

3-(3-ethylpentan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83258173) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 3-(3-ethylpentan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-(3-ethylpentan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83258173
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name3-(3-ethylpentan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCCC1NC2(CCCC2)C(=O)N1C(C)C(CC)CC
InChIInChI=1S/C17H32N2O/c1-5-10-15-18-17(11-8-9-12-17)16(20)19(15)13(4)14(6-2)7-3/h13-15,18H,5-12H2,1-4H3
InChIKeyKPVCGLCNIVALML-UHFFFAOYSA-N
XLogP3.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methylbutan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83251608
2-ethyl-3-(3-methylpentan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83247368
3-(1-methoxypentan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83263004
3-butan-2-yl-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83239839
6-(2-methylpropyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83242401
3-[3-[methyl(propan-2-yl)amino]propyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 106053072
3-(3-ethylpentan-2-yl)-2-propylimidazolidin-4-one
CID 83258011
2-ethyl-3-(4-methylhexan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83264245
3-(2-methylsulfonylethyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83256534
3-(4-methylhexan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83263262
3-(2,2-dimethylcyclopentyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83271222
3-(1-cyclopropylpropan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83257143

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylpentan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-(3-ethylpentan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one (CID 83258173) is 3-(3-ethylpentan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-(3-ethylpentan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-(3-ethylpentan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one is CCCC1NC2(CCCC2)C(=O)N1C(C)C(CC)CC.
What is the InChIKey of 3-(3-ethylpentan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is KPVCGLCNIVALML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-5-10-15-18-17(11-8-9-12-17)16(20)19(15)13(4)14(6-2)7-3/h13-15,18H,5-12H2,1-4H3.
What are the key properties of 3-(3-ethylpentan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one?
3-(3-ethylpentan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 280.46 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylpentan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83258173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).