1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-2-yl)ethanone

C12H21NO — CID 77341958

IUPAC1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-2-yl)ethanone
SMILESCC(=O)C1NCC2CCC1(C)C2(C)C
InChIInChI=1S/C12H21NO/c1-8(14)10-12(4)6-5-9(7-13-10)11(12,2)3/h9-10,13H,5-7H2,1-4H3
InChIKeyUVYWGTOISKMIMT-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.99
Rot. Bonds1

About 1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-2-yl)ethanone

1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-2-yl)ethanone (PubChem CID 77341958) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-2-yl)ethanone.

Molecular Properties

Compound Name1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-2-yl)ethanone
PubChem CID77341958
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-2-yl)ethanone
SMILESCC(=O)C1NCC2CCC1(C)C2(C)C
InChIInChI=1S/C12H21NO/c1-8(14)10-12(4)6-5-9(7-13-10)11(12,2)3/h9-10,13H,5-7H2,1-4H3
InChIKeyUVYWGTOISKMIMT-UHFFFAOYSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Tert-butylamino)-1-(2,2-dimethylcyclopentyl)-4,4-dimethylpentan-3-one
CID 20825307
2-Cyclopentylazepan-3-one
CID 57103553
4-Tert-butyl-2-ethylazepan-3-one
CID 57173172
1-(6-Ethyl-2,8-diazaspiro[4.5]decan-3-yl)ethanone
CID 58436635
1-(8-Azaspiro[4.5]decan-3-yl)ethanone
CID 58436643
bicyclo[3.1.0]hexane;1-[(1R)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-2-yl]ethanone
CID 67723076
bicyclo[5.1.0]octane;1-[(1S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-2-yl]ethanone
CID 67723135
6-Cyclopentyl-4-(ethylamino)-2,2,6-trimethylheptan-3-one
CID 71154518
6-Cyclopentyl-4-(ethylamino)-6-methylheptan-3-one
CID 71154573
6-Cyclopentyl-4-(ethylamino)-2,2-dimethylhexan-3-one
CID 71154734
1-(2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-1-yl)ethanone
CID 90451350
3-(3-Methyl-6-azabicyclo[3.2.2]nonan-3-yl)butan-2-one
CID 91556622

Frequently Asked Questions

What is the IUPAC name of 1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-2-yl)ethanone?
The IUPAC name of 1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-2-yl)ethanone (CID 77341958) is 1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-2-yl)ethanone.
What is the SMILES notation for 1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-2-yl)ethanone?
The canonical SMILES for 1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-2-yl)ethanone is CC(=O)C1NCC2CCC1(C)C2(C)C.
What is the InChIKey of 1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-2-yl)ethanone?
The InChIKey is UVYWGTOISKMIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-8(14)10-12(4)6-5-9(7-13-10)11(12,2)3/h9-10,13H,5-7H2,1-4H3.
What are the key properties of 1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-2-yl)ethanone?
1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-2-yl)ethanone has a molecular weight of 195.31 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-2-yl)ethanone is sourced from PubChem (CID 77341958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).