3-(3,5-dimethylcyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one

C15H26N2O — CID 83258739

IUPAC3-(3,5-dimethylcyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCC1CC(C)CC(N2CNC3(CCCC3)C2=O)C1
InChIInChI=1S/C15H26N2O/c1-11-7-12(2)9-13(8-11)17-10-16-15(14(17)18)5-3-4-6-15/h11-13,16H,3-10H2,1-2H3
InChIKeyXIBQAVYVGPTTMM-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.51
Rot. Bonds1

About 3-(3,5-dimethylcyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one

3-(3,5-dimethylcyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83258739) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-(3,5-dimethylcyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-(3,5-dimethylcyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83258739
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-(3,5-dimethylcyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCC1CC(C)CC(N2CNC3(CCCC3)C2=O)C1
InChIInChI=1S/C15H26N2O/c1-11-7-12(2)9-13(8-11)17-10-16-15(14(17)18)5-3-4-6-15/h11-13,16H,3-10H2,1-2H3
InChIKeyXIBQAVYVGPTTMM-UHFFFAOYSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,3-dimethylcyclopentyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 114552438
6-(3,3-dimethylcyclopentyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 114552420
6-(2-methylcycloheptyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83258358
10-(3-methylcyclohexyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 64960309
6-(1-ethylpiperidin-3-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83245860
3-[(4-methylcyclohexyl)methyl]-1,3-diazaspiro[4.4]nonan-4-one
CID 83254362
1-(3,5-dimethylcyclohexyl)-5-methyl-1,3-diazinane-2,4-dione
CID 79777504
9-(2-methylcyclopropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64969355
6-(2,2-diethyloxan-4-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83260104
4-(3,4-dimethylcyclohexyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64973618
4-(3,5-dimethylcyclohexyl)piperazine-2,6-dione
CID 64734474
2-methyl-3-(4-methylcyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83239406

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylcyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-(3,5-dimethylcyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one (CID 83258739) is 3-(3,5-dimethylcyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-(3,5-dimethylcyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-(3,5-dimethylcyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one is CC1CC(C)CC(N2CNC3(CCCC3)C2=O)C1.
What is the InChIKey of 3-(3,5-dimethylcyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is XIBQAVYVGPTTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11-7-12(2)9-13(8-11)17-10-16-15(14(17)18)5-3-4-6-15/h11-13,16H,3-10H2,1-2H3.
What are the key properties of 3-(3,5-dimethylcyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one?
3-(3,5-dimethylcyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 250.39 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylcyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83258739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).