6-(3,4-dimethylcyclohexyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one

C17H30N2O — CID 83263149

IUPAC6-(3,4-dimethylcyclohexyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(C)CC1NC2(CC2)C(=O)N1C1CCC(C)C(C)C1
InChIInChI=1S/C17H30N2O/c1-11(2)9-15-18-17(7-8-17)16(20)19(15)14-6-5-12(3)13(4)10-14/h11-15,18H,5-10H2,1-4H3
InChIKeyUETFOURNZABETG-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.15
Rot. Bonds3

About 6-(3,4-dimethylcyclohexyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one

6-(3,4-dimethylcyclohexyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83263149) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 6-(3,4-dimethylcyclohexyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(3,4-dimethylcyclohexyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83263149
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name6-(3,4-dimethylcyclohexyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(C)CC1NC2(CC2)C(=O)N1C1CCC(C)C(C)C1
InChIInChI=1S/C17H30N2O/c1-11(2)9-15-18-17(7-8-17)16(20)19(15)14-6-5-12(3)13(4)10-14/h11-15,18H,5-10H2,1-4H3
InChIKeyUETFOURNZABETG-UHFFFAOYSA-N
XLogP3.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83242472
3-(3,4-dimethylcyclohexyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83264624
6-(2-methylcycloheptyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83258767
5-(2-methylpropyl)-6-(thiolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 103065437
3-(2-methylcyclohexyl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83236731
3-(3,4-dimethylcyclohexyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83263988
6-(2,2-dimethylcyclopentyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83270342
2-(2-methylpropyl)-3-(1-methylpyrrolidin-3-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83250222
3-(3,4-dimethylcyclohexyl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one
CID 83263293
5-ethyl-6-(3-methylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83243449
5-ethyl-6-(2-methylcyclopropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83255583
6-(2-methylpentan-3-yl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83247398

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylcyclohexyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(3,4-dimethylcyclohexyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83263149) is 6-(3,4-dimethylcyclohexyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(3,4-dimethylcyclohexyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(3,4-dimethylcyclohexyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one is CC(C)CC1NC2(CC2)C(=O)N1C1CCC(C)C(C)C1.
What is the InChIKey of 6-(3,4-dimethylcyclohexyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is UETFOURNZABETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-11(2)9-15-18-17(7-8-17)16(20)19(15)14-6-5-12(3)13(4)10-14/h11-15,18H,5-10H2,1-4H3.
What are the key properties of 6-(3,4-dimethylcyclohexyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
6-(3,4-dimethylcyclohexyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 278.44 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylcyclohexyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83263149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).