1-(2-tert-butyl-2-azabicyclo[3.1.0]hexan-3-yl)-2,2-dimethylpropan-1-one

C14H25NO — CID 58341263

IUPAC1-(2-tert-butyl-2-azabicyclo[3.1.0]hexan-3-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CC2CC2N1C(C)(C)C
InChIInChI=1S/C14H25NO/c1-13(2,3)12(16)11-8-9-7-10(9)15(11)14(4,5)6/h9-11H,7-8H2,1-6H3
InChIKeyLIBCIQYOUINJQG-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.86
Rot. Bonds1

About 1-(2-tert-butyl-2-azabicyclo[3.1.0]hexan-3-yl)-2,2-dimethylpropan-1-one

1-(2-tert-butyl-2-azabicyclo[3.1.0]hexan-3-yl)-2,2-dimethylpropan-1-one (PubChem CID 58341263) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(2-tert-butyl-2-azabicyclo[3.1.0]hexan-3-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(2-tert-butyl-2-azabicyclo[3.1.0]hexan-3-yl)-2,2-dimethylpropan-1-one
PubChem CID58341263
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-(2-tert-butyl-2-azabicyclo[3.1.0]hexan-3-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CC2CC2N1C(C)(C)C
InChIInChI=1S/C14H25NO/c1-13(2,3)12(16)11-8-9-7-10(9)15(11)14(4,5)6/h9-11H,7-8H2,1-6H3
InChIKeyLIBCIQYOUINJQG-UHFFFAOYSA-N
XLogP2.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-tert-butyl-2-azabicyclo[3.1.0]hexan-3-yl)-2,2-dimethylpropan-1-one with MolForge

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Related Compounds

1-[(2S,3aS,6aS)-1-tert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl]-2,2-dimethylpropan-1-one
CID 58849893
(1R,3R,5R)-3-(2,2-dimethylpropanoyl)-2-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 66973105
1-[(2S,4R,5R)-1-tert-butyl-4,5-dimethylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 135198397
1-tert-butyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 59450731
2,2-dimethyl-1-(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl)propan-1-one
CID 169320620
1-(1-tert-butyl-4-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;methane
CID 159165374
1-(1-tert-butyl-4-ethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 20752718
2-tert-butyl-3-ethynyl-2-azabicyclo[3.1.0]hexane
CID 156685076
1-(5-ethyl-2-methylpyrazolidin-3-yl)-2,2-dimethylpropan-1-one
CID 176834113
1-[(2R,4R)-1,4-dimethylpiperidin-2-yl]-2,2-dimethylpropan-1-one
CID 167367783
1-[(4S)-1-tert-butyl-4-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-2,2-dimethylpropan-1-one
CID 154971064
2,2-dimethyl-1-(2-propan-2-ylpyrazolidin-3-yl)propan-1-one
CID 176832521

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-2-azabicyclo[3.1.0]hexan-3-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(2-tert-butyl-2-azabicyclo[3.1.0]hexan-3-yl)-2,2-dimethylpropan-1-one (CID 58341263) is 1-(2-tert-butyl-2-azabicyclo[3.1.0]hexan-3-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(2-tert-butyl-2-azabicyclo[3.1.0]hexan-3-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(2-tert-butyl-2-azabicyclo[3.1.0]hexan-3-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)C1CC2CC2N1C(C)(C)C.
What is the InChIKey of 1-(2-tert-butyl-2-azabicyclo[3.1.0]hexan-3-yl)-2,2-dimethylpropan-1-one?
The InChIKey is LIBCIQYOUINJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-13(2,3)12(16)11-8-9-7-10(9)15(11)14(4,5)6/h9-11H,7-8H2,1-6H3.
What are the key properties of 1-(2-tert-butyl-2-azabicyclo[3.1.0]hexan-3-yl)-2,2-dimethylpropan-1-one?
1-(2-tert-butyl-2-azabicyclo[3.1.0]hexan-3-yl)-2,2-dimethylpropan-1-one has a molecular weight of 223.36 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-2-azabicyclo[3.1.0]hexan-3-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 58341263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).