5-ethyl-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one

C12H23N3O — CID 83255547

IUPAC5-ethyl-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCC1NC2(CC2)C(=O)N1CCN(C)CC
InChIInChI=1S/C12H23N3O/c1-4-10-13-12(6-7-12)11(16)15(10)9-8-14(3)5-2/h10,13H,4-9H2,1-3H3
InChIKeyQNYJNWRLNIJWGL-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.64
Rot. Bonds5

About 5-ethyl-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one

5-ethyl-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83255547) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 5-ethyl-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-ethyl-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83255547
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name5-ethyl-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCC1NC2(CC2)C(=O)N1CCN(C)CC
InChIInChI=1S/C12H23N3O/c1-4-10-13-12(6-7-12)11(16)15(10)9-8-14(3)5-2/h10,13H,4-9H2,1-3H3
InChIKeyQNYJNWRLNIJWGL-UHFFFAOYSA-N
XLogP0.64
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-ethyl-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-ethyl-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one (CID 83255547) is 5-ethyl-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-ethyl-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-ethyl-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one is CCC1NC2(CC2)C(=O)N1CCN(C)CC.
What is the InChIKey of 5-ethyl-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is QNYJNWRLNIJWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-10-13-12(6-7-12)11(16)15(10)9-8-14(3)5-2/h10,13H,4-9H2,1-3H3.
What are the key properties of 5-ethyl-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one?
5-ethyl-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 225.34 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83255547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).