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

C18H32N2O — CID 83264624

IUPAC3-(3,4-dimethylcyclohexyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCCC1NC2(CCCC2)C(=O)N1C1CCC(C)C(C)C1
InChIInChI=1S/C18H32N2O/c1-4-7-16-19-18(10-5-6-11-18)17(21)20(16)15-9-8-13(2)14(3)12-15/h13-16,19H,4-12H2,1-3H3
InChIKeyJHTKMQSAWXIRNA-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.68
Rot. Bonds3

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

3-(3,4-dimethylcyclohexyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83264624) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 3-(3,4-dimethylcyclohexyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-(3,4-dimethylcyclohexyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83264624
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name3-(3,4-dimethylcyclohexyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCCC1NC2(CCCC2)C(=O)N1C1CCC(C)C(C)C1
InChIInChI=1S/C18H32N2O/c1-4-7-16-19-18(10-5-6-11-18)17(21)20(16)15-9-8-13(2)14(3)12-15/h13-16,19H,4-12H2,1-3H3
InChIKeyJHTKMQSAWXIRNA-UHFFFAOYSA-N
XLogP3.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dimethylcyclohexyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83263988
6-(3,4-dimethylcyclohexyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83263149
3-(1-methylpyrrolidin-3-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83249922
3-(3,3-dimethylcyclohexyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83268080
6-(2-methylcyclopropyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83255505
3-(2,2-dimethylcyclopentyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83271222
3-(1,2-dimethylpiperidin-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83260804
6-(2,2-dimethylcyclohexyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83270898
2-ethyl-3-(4-hydroxycyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83239217
2-methyl-3-(4-methylcyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83239406
3-cyclopropyl-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83242472
5-ethyl-6-(3-methylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83243449

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylcyclohexyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-(3,4-dimethylcyclohexyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one (CID 83264624) is 3-(3,4-dimethylcyclohexyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-(3,4-dimethylcyclohexyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-(3,4-dimethylcyclohexyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one is CCCC1NC2(CCCC2)C(=O)N1C1CCC(C)C(C)C1.
What is the InChIKey of 3-(3,4-dimethylcyclohexyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is JHTKMQSAWXIRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-4-7-16-19-18(10-5-6-11-18)17(21)20(16)15-9-8-13(2)14(3)12-15/h13-16,19H,4-12H2,1-3H3.
What are the key properties of 3-(3,4-dimethylcyclohexyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one?
3-(3,4-dimethylcyclohexyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 292.47 g/mol, XLogP of 3.68, 3 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-propyl-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83264624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).