3-(3,4-dimethylcyclohexyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one

C16H28N2O — CID 83263988

IUPAC3-(3,4-dimethylcyclohexyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCC1CCC(N2C(=O)C3(CCCC3)NC2C)CC1C
InChIInChI=1S/C16H28N2O/c1-11-6-7-14(10-12(11)2)18-13(3)17-16(15(18)19)8-4-5-9-16/h11-14,17H,4-10H2,1-3H3
InChIKeyYZXMXDWECICXIG-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.90
Rot. Bonds1

About 3-(3,4-dimethylcyclohexyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one

3-(3,4-dimethylcyclohexyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83263988) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 3-(3,4-dimethylcyclohexyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-(3,4-dimethylcyclohexyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83263988
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name3-(3,4-dimethylcyclohexyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCC1CCC(N2C(=O)C3(CCCC3)NC2C)CC1C
InChIInChI=1S/C16H28N2O/c1-11-6-7-14(10-12(11)2)18-13(3)17-16(15(18)19)8-4-5-9-16/h11-14,17H,4-10H2,1-3H3
InChIKeyYZXMXDWECICXIG-UHFFFAOYSA-N
XLogP2.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dimethylcyclohexyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83264624
2-methyl-3-(4-methylcyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83239406
3-(2,3-dimethylcyclopentyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83258344
2-methyl-3-(2-methylcyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83238017
6-cycloheptyl-5-methyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83243483
6-(3,4-dimethylcyclohexyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83263149
4-(3,4-dimethylcyclohexyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64973618
3-(3,4-dimethylcyclohexyl)-2-methylimidazolidin-4-one
CID 83263641
6-(2,2-dimethylcyclopentyl)-5-methyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83270264
3-(1,2-dimethylpiperidin-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83260804
2-cyclopentyl-3-(2-methylcyclopentyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83264147
3-cyclopropyl-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83242472

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylcyclohexyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-(3,4-dimethylcyclohexyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one (CID 83263988) is 3-(3,4-dimethylcyclohexyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-(3,4-dimethylcyclohexyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-(3,4-dimethylcyclohexyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one is CC1CCC(N2C(=O)C3(CCCC3)NC2C)CC1C.
What is the InChIKey of 3-(3,4-dimethylcyclohexyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is YZXMXDWECICXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-11-6-7-14(10-12(11)2)18-13(3)17-16(15(18)19)8-4-5-9-16/h11-14,17H,4-10H2,1-3H3.
What are the key properties of 3-(3,4-dimethylcyclohexyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one?
3-(3,4-dimethylcyclohexyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 264.41 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylcyclohexyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83263988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).