1-(3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone

C13H23NO — CID 70825449

IUPAC1-(3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESCC(=O)N1C2CCC1CC(C(C)(C)C)C2
InChIInChI=1S/C13H23NO/c1-9(15)14-11-5-6-12(14)8-10(7-11)13(2,3)4/h10-12H,5-8H2,1-4H3
InChIKeyWUQBMZNWXOFETI-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.82
Rot. Bonds

About 1-(3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone

1-(3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone (PubChem CID 70825449) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone.

Molecular Properties

Compound Name1-(3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone
PubChem CID70825449
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESCC(=O)N1C2CCC1CC(C(C)(C)C)C2
InChIInChI=1S/C13H23NO/c1-9(15)14-11-5-6-12(14)8-10(7-11)13(2,3)4/h10-12H,5-8H2,1-4H3
InChIKeyWUQBMZNWXOFETI-UHFFFAOYSA-N
XLogP2.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,5R)-3-tert-butyl-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 164785292
1-[(1S,5R)-3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl]-2-(dimethylamino)ethanone
CID 164785458
1-(3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)-4,4-dimethylpentan-1-one
CID 171421265
2,2-dimethylpropyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 59433147
1-(8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 158227486
2,2-difluoroethyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 59614205
(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)carbamic acid
CID 142736972
oxolan-2-yl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 59614228
3-tert-butyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octane
CID 164835658
1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)ethanone
CID 13221036
1-(4-tert-butylpiperidin-1-yl)ethanone;ethane
CID 165078981
1-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethanone
CID 123960456

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The IUPAC name of 1-(3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone (CID 70825449) is 1-(3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone.
What is the SMILES notation for 1-(3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The canonical SMILES for 1-(3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone is CC(=O)N1C2CCC1CC(C(C)(C)C)C2.
What is the InChIKey of 1-(3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The InChIKey is WUQBMZNWXOFETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-9(15)14-11-5-6-12(14)8-10(7-11)13(2,3)4/h10-12H,5-8H2,1-4H3.
What are the key properties of 1-(3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
1-(3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone has a molecular weight of 209.33 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone is sourced from PubChem (CID 70825449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).