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

C15H26N2O — CID 83239406

IUPAC2-methyl-3-(4-methylcyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCC1CCC(N2C(=O)C3(CCCC3)NC2C)CC1
InChIInChI=1S/C15H26N2O/c1-11-5-7-13(8-6-11)17-12(2)16-15(14(17)18)9-3-4-10-15/h11-13,16H,3-10H2,1-2H3
InChIKeyJAENJMBMCDSGQL-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.66
Rot. Bonds1

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

2-methyl-3-(4-methylcyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83239406) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-methyl-3-(4-methylcyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name2-methyl-3-(4-methylcyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83239406
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-methyl-3-(4-methylcyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCC1CCC(N2C(=O)C3(CCCC3)NC2C)CC1
InChIInChI=1S/C15H26N2O/c1-11-5-7-13(8-6-11)17-12(2)16-15(14(17)18)9-3-4-10-15/h11-13,16H,3-10H2,1-2H3
InChIKeyJAENJMBMCDSGQL-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methylcyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 2-methyl-3-(4-methylcyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one (CID 83239406) is 2-methyl-3-(4-methylcyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 2-methyl-3-(4-methylcyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 2-methyl-3-(4-methylcyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one is CC1CCC(N2C(=O)C3(CCCC3)NC2C)CC1.
What is the InChIKey of 2-methyl-3-(4-methylcyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is JAENJMBMCDSGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11-5-7-13(8-6-11)17-12(2)16-15(14(17)18)9-3-4-10-15/h11-13,16H,3-10H2,1-2H3.
What are the key properties of 2-methyl-3-(4-methylcyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one?
2-methyl-3-(4-methylcyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 250.39 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methylcyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83239406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).