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

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Related Compounds

1-[3-amino-3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 165447253
1-(2,9-diazaspiro[4.5]decan-2-yl)-2-methyl-4-(trifluoromethyl)octan-1-one
CID 155474531
1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-1-one
CID 82038247
2-methyl-1-piperazin-1-ylhexan-1-one
CID 53216088
1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpentan-1-one
CID 107159961
(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpentan-1-one
CID 26832725
2-methyl-3-(methylamino)-1-(3-methyl-3-propylpiperidin-1-yl)propan-1-one;hydrochloride
CID 119791980
(2R)-2-amino-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one;hydrochloride
CID 119338501
2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-3-methylpentan-1-one;hydrochloride
CID 119784774
(3S)-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxylic acid
CID 28734803
1-(5-azaspiro[2.5]octan-5-yl)butan-1-one
CID 130890888
2-(2,8-diazaspiro[5.5]undecan-2-yl)-1-piperidin-1-ylpropan-1-one
CID 102850231

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).