5-ethyl-6-(3-methylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one

C14H24N2O — CID 83243449

IUPAC5-ethyl-6-(3-methylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCC1NC2(CC2)C(=O)N1C1CCCC(C)C1
InChIInChI=1S/C14H24N2O/c1-3-12-15-14(7-8-14)13(17)16(12)11-6-4-5-10(2)9-11/h10-12,15H,3-9H2,1-2H3
InChIKeyWMKUDJDGZOXIGK-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.27
Rot. Bonds2

About 5-ethyl-6-(3-methylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one

5-ethyl-6-(3-methylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83243449) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 5-ethyl-6-(3-methylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-ethyl-6-(3-methylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83243449
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name5-ethyl-6-(3-methylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCC1NC2(CC2)C(=O)N1C1CCCC(C)C1
InChIInChI=1S/C14H24N2O/c1-3-12-15-14(7-8-14)13(17)16(12)11-6-4-5-10(2)9-11/h10-12,15H,3-9H2,1-2H3
InChIKeyWMKUDJDGZOXIGK-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,2-dimethylpiperidin-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83260804
5-ethyl-6-(2-methylcyclopropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83255583
5-ethyl-6-(2-methylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83237288
2-ethyl-3-(2-methylcyclopentyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83257976
5-ethyl-6-(2-methylcycloheptyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83258447
2-ethyl-3-(4-hydroxycyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83239217
2-ethyl-3-(1-propylpiperidin-4-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83253349
2-ethyl-3-(2-methylcycloheptyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83258443
3-(3,4-dimethylcyclohexyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83264624
3-(2,2-dimethyloxan-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83259569
2-ethyl-3-(2-methoxycyclopentyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83254141
2-ethyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83270692

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(3-methylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-ethyl-6-(3-methylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83243449) is 5-ethyl-6-(3-methylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-ethyl-6-(3-methylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-ethyl-6-(3-methylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one is CCC1NC2(CC2)C(=O)N1C1CCCC(C)C1.
What is the InChIKey of 5-ethyl-6-(3-methylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is WMKUDJDGZOXIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-12-15-14(7-8-14)13(17)16(12)11-6-4-5-10(2)9-11/h10-12,15H,3-9H2,1-2H3.
What are the key properties of 5-ethyl-6-(3-methylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one?
5-ethyl-6-(3-methylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 236.36 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(3-methylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83243449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).