3-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one

C15H28N2O — CID 83255752

IUPAC3-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCC(C)C1NC2(CCCC2)C(=O)N1CC(C)(C)C
InChIInChI=1S/C15H28N2O/c1-11(2)12-16-15(8-6-7-9-15)13(18)17(12)10-14(3,4)5/h11-12,16H,6-10H2,1-5H3
InChIKeyGTKWKVRMSHPXJW-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.76
Rot. Bonds2

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

3-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83255752) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83255752
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name3-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCC(C)C1NC2(CCCC2)C(=O)N1CC(C)(C)C
InChIInChI=1S/C15H28N2O/c1-11(2)12-16-15(8-6-7-9-15)13(18)17(12)10-14(3,4)5/h11-12,16H,6-10H2,1-5H3
InChIKeyGTKWKVRMSHPXJW-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1-methylcyclopentyl)methyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83257924
3-[2-[ethyl(methyl)amino]ethyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83254466
6-(2-cyclohexylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83256857
3-[(1-methylpiperidin-2-yl)methyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83248460
3-(4-methylpentan-2-yl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83244515
6-(2-methylsulfonylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83256700
methyl 3-(7-oxo-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-6-yl)propanoate
CID 83256480
3-(2-methoxy-2-methylpropyl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 104767782
6-[(1,4-dimethylpiperazin-2-yl)methyl]-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83265028
2-ethyl-3-(2-piperidin-1-ylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83253291
3-(3,3-dimethylbutan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 104830781
3-(2,2-dimethylpropyl)-5-methyl-2-propan-2-ylimidazolidin-4-one
CID 83255750

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one (CID 83255752) is 3-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one is CC(C)C1NC2(CCCC2)C(=O)N1CC(C)(C)C.
What is the InChIKey of 3-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is GTKWKVRMSHPXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-11(2)12-16-15(8-6-7-9-15)13(18)17(12)10-14(3,4)5/h11-12,16H,6-10H2,1-5H3.
What are the key properties of 3-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one?
3-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 252.40 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83255752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).