1-(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2,2-dimethylpropan-1-one

C15H28N2O — CID 176736984

IUPAC1-(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CC2CCC(C1)N2C(C)(C)C
InChIInChI=1S/C15H28N2O/c1-14(2,3)13(18)16-9-11-7-8-12(10-16)17(11)15(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyWFFXNCJVLSMFJS-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.51
Rot. Bonds

About 1-(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2,2-dimethylpropan-1-one

1-(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2,2-dimethylpropan-1-one (PubChem CID 176736984) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2,2-dimethylpropan-1-one
PubChem CID176736984
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CC2CCC(C1)N2C(C)(C)C
InChIInChI=1S/C15H28N2O/c1-14(2,3)13(18)16-9-11-7-8-12(10-16)17(11)15(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyWFFXNCJVLSMFJS-UHFFFAOYSA-N
XLogP2.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2,2-dimethylpropan-1-one with MolForge

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Related Compounds

1-(3-fluoroazetidin-1-yl)-2,2-dimethylpropan-1-one
CID 59440861
2,2-dimethyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 62947088
1-(3-ethylazetidin-1-yl)-2,2-dimethylpropan-1-one
CID 89150280
1-(2-azabicyclo[2.2.2]octan-2-yl)-2,2-dimethylpropan-1-one
CID 20653223
1-(2,2-dimethylpropanoyl)azetidine-3-carbonitrile
CID 89411153
2,2-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one
CID 64592238
1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 126750039
2,2-dimethyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 40543342
2,2-dimethyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120996566
1-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2,2-dimethylpropan-1-one
CID 138562984
8-(2-iodopropan-2-yl)-3-prop-1-en-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 170184622
1-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 107224185

Frequently Asked Questions

What is the IUPAC name of 1-(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2,2-dimethylpropan-1-one (CID 176736984) is 1-(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CC2CCC(C1)N2C(C)(C)C.
What is the InChIKey of 1-(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2,2-dimethylpropan-1-one?
The InChIKey is WFFXNCJVLSMFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-14(2,3)13(18)16-9-11-7-8-12(10-16)17(11)15(4,5)6/h11-12H,7-10H2,1-6H3.
What are the key properties of 1-(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2,2-dimethylpropan-1-one?
1-(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2,2-dimethylpropan-1-one has a molecular weight of 252.40 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 176736984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).