4-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pentan-2-one

C12H22N2O — CID 131198227

IUPAC4-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pentan-2-one
SMILESCC(=O)CC(C)N1CCC2(CN(C)C2)C1
InChIInChI=1S/C12H22N2O/c1-10(6-11(2)15)14-5-4-12(9-14)7-13(3)8-12/h10H,4-9H2,1-3H3
InChIKeyCOMTZGADABUUJW-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.99
Rot. Bonds3

About 4-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pentan-2-one

4-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pentan-2-one (PubChem CID 131198227) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pentan-2-one.

Molecular Properties

Compound Name4-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pentan-2-one
PubChem CID131198227
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pentan-2-one
SMILESCC(=O)CC(C)N1CCC2(CN(C)C2)C1
InChIInChI=1S/C12H22N2O/c1-10(6-11(2)15)14-5-4-12(9-14)7-13(3)8-12/h10H,4-9H2,1-3H3
InChIKeyCOMTZGADABUUJW-UHFFFAOYSA-N
XLogP0.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)butan-2-one
CID 130731279
ethane;methane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane
CID 162125868
2-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)propan-1-ol
CID 130204201
2-butan-2-yl-8-methyl-2,8-diazaspiro[4.5]decane
CID 170581950
7-methyl-2-[5-(2-propan-2-yl-2,8-diazaspiro[3.5]nonan-8-yl)hexan-2-yl]-2,7-diazaspiro[4.4]nonane
CID 170050869
3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanoic acid
CID 103356700
3-(8-azaspiro[4.5]decan-8-yl)butanoic acid
CID 63158284
ethane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 145449305
4-(3,4-dihydroxypyrrolidin-1-yl)pentan-2-one
CID 106670355
methyl 3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanoate
CID 103356687
9-methyl-2-pentan-2-yl-2,9-diazaspiro[5.5]undecane
CID 126759798
propan-2-one;6-propan-2-yl-6-azaspiro[2.5]octane
CID 170791695

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pentan-2-one?
The IUPAC name of 4-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pentan-2-one (CID 131198227) is 4-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pentan-2-one.
What is the SMILES notation for 4-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pentan-2-one?
The canonical SMILES for 4-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pentan-2-one is CC(=O)CC(C)N1CCC2(CN(C)C2)C1.
What is the InChIKey of 4-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pentan-2-one?
The InChIKey is COMTZGADABUUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10(6-11(2)15)14-5-4-12(9-14)7-13(3)8-12/h10H,4-9H2,1-3H3.
What are the key properties of 4-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pentan-2-one?
4-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pentan-2-one has a molecular weight of 210.32 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pentan-2-one is sourced from PubChem (CID 131198227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).