3-amino-1-(6-azaspiro[3.4]octan-6-yl)-2,2-dimethylpropan-1-one

C12H22N2O — CID 119788804

IUPAC3-amino-1-(6-azaspiro[3.4]octan-6-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(CN)C(=O)N1CCC2(CCC2)C1
InChIInChI=1S/C12H22N2O/c1-11(2,8-13)10(15)14-7-6-12(9-14)4-3-5-12/h3-9,13H2,1-2H3
InChIKeyGWKFIOPVNBMZAT-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.37
Rot. Bonds2

About 3-amino-1-(6-azaspiro[3.4]octan-6-yl)-2,2-dimethylpropan-1-one

3-amino-1-(6-azaspiro[3.4]octan-6-yl)-2,2-dimethylpropan-1-one (PubChem CID 119788804) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-amino-1-(6-azaspiro[3.4]octan-6-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(6-azaspiro[3.4]octan-6-yl)-2,2-dimethylpropan-1-one
PubChem CID119788804
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-amino-1-(6-azaspiro[3.4]octan-6-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(CN)C(=O)N1CCC2(CCC2)C1
InChIInChI=1S/C12H22N2O/c1-11(2,8-13)10(15)14-7-6-12(9-14)4-3-5-12/h3-9,13H2,1-2H3
InChIKeyGWKFIOPVNBMZAT-UHFFFAOYSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 116991070
1-(2-azaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one
CID 130842982
1-(6-azaspiro[3.4]octan-6-yl)-2-chloroethanone
CID 130670155
2-(6-azaspiro[3.4]octan-6-yl)-2-methylpropan-1-amine
CID 131209511
2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-2-methylpentan-1-one
CID 119784789
3-amino-1-(2-azaspiro[4.5]decan-2-yl)propan-1-one
CID 83628810
2-amino-1-(6-azaspiro[3.4]octan-6-yl)-3-methylbutan-1-one
CID 119326633
3-amino-1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;hydrochloride
CID 130637170
1-(8-ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2,2,2-trifluoroethanone
CID 91172286
[4-(aminomethyl)oxan-4-yl]-(6-azaspiro[3.4]octan-6-yl)methanone
CID 120933192
2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-4-yl]acetic acid
CID 113307689
(2R)-2-amino-1-(2-azaspiro[4.4]nonan-2-yl)propan-1-one
CID 130163238

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(6-azaspiro[3.4]octan-6-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 3-amino-1-(6-azaspiro[3.4]octan-6-yl)-2,2-dimethylpropan-1-one (CID 119788804) is 3-amino-1-(6-azaspiro[3.4]octan-6-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 3-amino-1-(6-azaspiro[3.4]octan-6-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 3-amino-1-(6-azaspiro[3.4]octan-6-yl)-2,2-dimethylpropan-1-one is CC(C)(CN)C(=O)N1CCC2(CCC2)C1.
What is the InChIKey of 3-amino-1-(6-azaspiro[3.4]octan-6-yl)-2,2-dimethylpropan-1-one?
The InChIKey is GWKFIOPVNBMZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-11(2,8-13)10(15)14-7-6-12(9-14)4-3-5-12/h3-9,13H2,1-2H3.
What are the key properties of 3-amino-1-(6-azaspiro[3.4]octan-6-yl)-2,2-dimethylpropan-1-one?
3-amino-1-(6-azaspiro[3.4]octan-6-yl)-2,2-dimethylpropan-1-one has a molecular weight of 210.32 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(6-azaspiro[3.4]octan-6-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 119788804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).