2,2-dimethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one

C13H23NO — CID 112680692

IUPAC2,2-dimethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one
SMILESCN1C2CCC1CC(C(=O)C(C)(C)C)C2
InChIInChI=1S/C13H23NO/c1-13(2,3)12(15)9-7-10-5-6-11(8-9)14(10)4/h9-11H,5-8H2,1-4H3
InChIKeyAZDBELDTWKXRHS-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.47
Rot. Bonds1

About 2,2-dimethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one

2,2-dimethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one (PubChem CID 112680692) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2,2-dimethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one
PubChem CID112680692
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2,2-dimethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one
SMILESCN1C2CCC1CC(C(=O)C(C)(C)C)C2
InChIInChI=1S/C13H23NO/c1-13(2,3)12(15)9-7-10-5-6-11(8-9)14(10)4/h9-11H,5-8H2,1-4H3
InChIKeyAZDBELDTWKXRHS-UHFFFAOYSA-N
XLogP2.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one with MolForge

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Related Compounds

1-(3-Ethyl-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl)-propan-1-one
CID 44458623
2,8-Dimethyl-8-azabicyclo[3.2.1]octan-3-one
CID 54521676
2-Methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one
CID 54292616
8-Methyl-2-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-one
CID 54471378
2,4-Dimethyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one
CID 57195571
(1R,2R,5S)-8-(3-fluoropropyl)-2-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 67209139
8-(3-Fluoropropyl)-1-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 123895532
1-(8-Methyl-8-azabicyclo[3.2.1]octan-2-yl)ethanone
CID 18995706
(5R)-2-methyl-2-azaspiro[4.5]decan-7-one
CID 14814830
2beta-Propanoyl tropane
CID 129712120
(2S,10aS)-2-methyl-2,3,4,6,7,8,10,10a-octahydro-1H-pyrido[1,2-a]azepin-9-one
CID 162403326
4,4,4-Trifluoro-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-one
CID 112680637

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one (CID 112680692) is 2,2-dimethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one is CN1C2CCC1CC(C(=O)C(C)(C)C)C2.
What is the InChIKey of 2,2-dimethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
The InChIKey is AZDBELDTWKXRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-13(2,3)12(15)9-7-10-5-6-11(8-9)14(10)4/h9-11H,5-8H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
2,2-dimethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one has a molecular weight of 209.33 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one is sourced from PubChem (CID 112680692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).