1-(2,6-diazaspiro[3.5]nonan-6-yl)-2-methylpentan-1-one

C13H24N2O — CID 165465666

IUPAC1-(2,6-diazaspiro[3.5]nonan-6-yl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)N1CCCC2(CNC2)C1
InChIInChI=1S/C13H24N2O/c1-3-5-11(2)12(16)15-7-4-6-13(10-15)8-14-9-13/h11,14H,3-10H2,1-2H3
InChIKeyHLCKHICFTHUQAF-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.63
Rot. Bonds3

About 1-(2,6-diazaspiro[3.5]nonan-6-yl)-2-methylpentan-1-one

1-(2,6-diazaspiro[3.5]nonan-6-yl)-2-methylpentan-1-one (PubChem CID 165465666) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(2,6-diazaspiro[3.5]nonan-6-yl)-2-methylpentan-1-one.

Molecular Properties

Compound Name1-(2,6-diazaspiro[3.5]nonan-6-yl)-2-methylpentan-1-one
PubChem CID165465666
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-(2,6-diazaspiro[3.5]nonan-6-yl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)N1CCCC2(CNC2)C1
InChIInChI=1S/C13H24N2O/c1-3-5-11(2)12(16)15-7-4-6-13(10-15)8-14-9-13/h11,14H,3-10H2,1-2H3
InChIKeyHLCKHICFTHUQAF-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,6-diazaspiro[3.5]nonan-6-yl)-2-methylpentan-1-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 1-(2,6-diazaspiro[3.5]nonan-6-yl)-2-methylpentan-1-one?
The IUPAC name of 1-(2,6-diazaspiro[3.5]nonan-6-yl)-2-methylpentan-1-one (CID 165465666) is 1-(2,6-diazaspiro[3.5]nonan-6-yl)-2-methylpentan-1-one.
What is the SMILES notation for 1-(2,6-diazaspiro[3.5]nonan-6-yl)-2-methylpentan-1-one?
The canonical SMILES for 1-(2,6-diazaspiro[3.5]nonan-6-yl)-2-methylpentan-1-one is CCCC(C)C(=O)N1CCCC2(CNC2)C1.
What is the InChIKey of 1-(2,6-diazaspiro[3.5]nonan-6-yl)-2-methylpentan-1-one?
The InChIKey is HLCKHICFTHUQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-5-11(2)12(16)15-7-4-6-13(10-15)8-14-9-13/h11,14H,3-10H2,1-2H3.
What are the key properties of 1-(2,6-diazaspiro[3.5]nonan-6-yl)-2-methylpentan-1-one?
1-(2,6-diazaspiro[3.5]nonan-6-yl)-2-methylpentan-1-one has a molecular weight of 224.35 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diazaspiro[3.5]nonan-6-yl)-2-methylpentan-1-one is sourced from PubChem (CID 165465666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).