3-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)butan-2-one

C12H22N2O — CID 130731279

IUPAC3-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)butan-2-one
SMILESCC(=O)C(C)N1CCC2(CCN(C)C2)C1
InChIInChI=1S/C12H22N2O/c1-10(11(2)15)14-7-5-12(9-14)4-6-13(3)8-12/h10H,4-9H2,1-3H3
InChIKeyOAEDKZHGEXAAAB-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.99
Rot. Bonds2

About 3-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)butan-2-one

3-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)butan-2-one (PubChem CID 130731279) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)butan-2-one.

Molecular Properties

Compound Name3-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)butan-2-one
PubChem CID130731279
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)butan-2-one
SMILESCC(=O)C(C)N1CCC2(CCN(C)C2)C1
InChIInChI=1S/C12H22N2O/c1-10(11(2)15)14-7-5-12(9-14)4-6-13(3)8-12/h10H,4-9H2,1-3H3
InChIKeyOAEDKZHGEXAAAB-UHFFFAOYSA-N
XLogP0.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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

ethane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 145449305
4-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pentan-2-one
CID 131198227
ethane;2-methyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 177025738
2,7-dimethyl-2,7-diazaspiro[4.4]nonane;ethane
CID 144510455
2-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)propan-1-ol
CID 130204201
2-methyl-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-ol
CID 126759684
ethane;methane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane
CID 162125868
methyl 2-(2-azaspiro[4.4]nonan-2-yl)propanoate
CID 130161407
N,N,8,11-tetramethyl-3,8,11-triazaspiro[5.6]dodecane-3-carboxamide
CID 168983400
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
propan-2-one;6-propan-2-yl-6-azaspiro[2.5]octane
CID 170791695
2,2-dimethyl-1-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)propan-1-one
CID 126750297

Frequently Asked Questions

What is the IUPAC name of 3-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)butan-2-one?
The IUPAC name of 3-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)butan-2-one (CID 130731279) is 3-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)butan-2-one.
What is the SMILES notation for 3-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)butan-2-one?
The canonical SMILES for 3-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)butan-2-one is CC(=O)C(C)N1CCC2(CCN(C)C2)C1.
What is the InChIKey of 3-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)butan-2-one?
The InChIKey is OAEDKZHGEXAAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10(11(2)15)14-7-5-12(9-14)4-6-13(3)8-12/h10H,4-9H2,1-3H3.
What are the key properties of 3-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)butan-2-one?
3-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)butan-2-one has a molecular weight of 210.32 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)butan-2-one is sourced from PubChem (CID 130731279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).