4-(6-methyl-6-azaspiro[2.5]octan-2-yl)butan-2-one

C12H21NO — CID 84666482

IUPAC4-(6-methyl-6-azaspiro[2.5]octan-2-yl)butan-2-one
SMILESCC(=O)CCC1CC12CCN(C)CC2
InChIInChI=1S/C12H21NO/c1-10(14)3-4-11-9-12(11)5-7-13(2)8-6-12/h11H,3-9H2,1-2H3
InChIKeyIQEZBQRVVSSALG-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.09
Rot. Bonds3

About 4-(6-methyl-6-azaspiro[2.5]octan-2-yl)butan-2-one

4-(6-methyl-6-azaspiro[2.5]octan-2-yl)butan-2-one (PubChem CID 84666482) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-(6-methyl-6-azaspiro[2.5]octan-2-yl)butan-2-one.

Molecular Properties

Compound Name4-(6-methyl-6-azaspiro[2.5]octan-2-yl)butan-2-one
PubChem CID84666482
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-(6-methyl-6-azaspiro[2.5]octan-2-yl)butan-2-one
SMILESCC(=O)CCC1CC12CCN(C)CC2
InChIInChI=1S/C12H21NO/c1-10(14)3-4-11-9-12(11)5-7-13(2)8-6-12/h11H,3-9H2,1-2H3
InChIKeyIQEZBQRVVSSALG-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-methyl-6-azaspiro[2.5]octan-2-yl)propanoic acid
CID 84667807
tert-butyl 2-(3-oxobutyl)-5-azaspiro[2.4]heptane-5-carboxylate
CID 84711913
4-[(1R)-2,2-dimethylcyclopropyl]butan-2-one
CID 134971339
N-[(6-methyl-6-azaspiro[2.5]octan-2-yl)methyl]formamide
CID 154671249
N-[(6-methyl-6-azaspiro[2.5]octan-2-yl)methyl]ethanamine
CID 130138088
1-(6-methyl-6-azaspiro[2.5]octan-2-yl)propan-2-amine
CID 84658706
2-(2-hydroxyethyl)-6-azaspiro[2.5]octane-6-carboxylic acid
CID 155024264
ethane;6-methyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 144539411
ethane;N-[[6-[2-(4-methylpiperazin-1-yl)ethyl]-6-azaspiro[2.5]octan-2-yl]methyl]butanamide
CID 166466919
4-(1-methylaziridin-2-yl)butan-2-one
CID 167665229
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-one
CID 63236414
1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)propan-2-one
CID 172604347

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-6-azaspiro[2.5]octan-2-yl)butan-2-one?
The IUPAC name of 4-(6-methyl-6-azaspiro[2.5]octan-2-yl)butan-2-one (CID 84666482) is 4-(6-methyl-6-azaspiro[2.5]octan-2-yl)butan-2-one.
What is the SMILES notation for 4-(6-methyl-6-azaspiro[2.5]octan-2-yl)butan-2-one?
The canonical SMILES for 4-(6-methyl-6-azaspiro[2.5]octan-2-yl)butan-2-one is CC(=O)CCC1CC12CCN(C)CC2.
What is the InChIKey of 4-(6-methyl-6-azaspiro[2.5]octan-2-yl)butan-2-one?
The InChIKey is IQEZBQRVVSSALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10(14)3-4-11-9-12(11)5-7-13(2)8-6-12/h11H,3-9H2,1-2H3.
What are the key properties of 4-(6-methyl-6-azaspiro[2.5]octan-2-yl)butan-2-one?
4-(6-methyl-6-azaspiro[2.5]octan-2-yl)butan-2-one has a molecular weight of 195.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-6-azaspiro[2.5]octan-2-yl)butan-2-one is sourced from PubChem (CID 84666482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).