2-ethyl-3-(3-methylpentan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one

C15H28N2O — CID 83247368

IUPAC2-ethyl-3-(3-methylpentan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCC(C)C(C)N1C(=O)C2(CCCC2)NC1CC
InChIInChI=1S/C15H28N2O/c1-5-11(3)12(4)17-13(6-2)16-15(14(17)18)9-7-8-10-15/h11-13,16H,5-10H2,1-4H3
InChIKeyNWPCICXYQRLLFM-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.90
Rot. Bonds4

About 2-ethyl-3-(3-methylpentan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one

2-ethyl-3-(3-methylpentan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83247368) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-ethyl-3-(3-methylpentan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name2-ethyl-3-(3-methylpentan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83247368
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2-ethyl-3-(3-methylpentan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCC(C)C(C)N1C(=O)C2(CCCC2)NC1CC
InChIInChI=1S/C15H28N2O/c1-5-11(3)12(4)17-13(6-2)16-15(14(17)18)9-7-8-10-15/h11-13,16H,5-10H2,1-4H3
InChIKeyNWPCICXYQRLLFM-UHFFFAOYSA-N
XLogP2.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-3-(3-methylpentan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-butan-2-yl-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83239839
2-ethyl-3-(4-methylhexan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83264245
3-(3-ethylpentan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83258173
3-methyl-4-(3-methylpentan-2-yl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64964453
3-(3-methylbutan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83251608
5-ethyl-6-(1-methoxy-3-methylbutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83258737
5-ethyl-6-(6-methylheptan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83254085
3-(4-methylhexan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83263262
2-ethyl-3-(2-piperidin-1-ylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83253291
6-(3-methylpentan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83247618
2-ethyl-3-(2-methoxycyclopentyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83254141
6-[1-(dimethylamino)-4-methylpentan-2-yl]-5-ethyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83247410

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(3-methylpentan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 2-ethyl-3-(3-methylpentan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one (CID 83247368) is 2-ethyl-3-(3-methylpentan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 2-ethyl-3-(3-methylpentan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 2-ethyl-3-(3-methylpentan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one is CCC(C)C(C)N1C(=O)C2(CCCC2)NC1CC.
What is the InChIKey of 2-ethyl-3-(3-methylpentan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is NWPCICXYQRLLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-5-11(3)12(4)17-13(6-2)16-15(14(17)18)9-7-8-10-15/h11-13,16H,5-10H2,1-4H3.
What are the key properties of 2-ethyl-3-(3-methylpentan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one?
2-ethyl-3-(3-methylpentan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 252.40 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(3-methylpentan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83247368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).