3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octan-6-one

C14H26N2O — CID 172514175

IUPAC3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octan-6-one
SMILESCC(C)(C)N1CC2CC(=O)C(C1)N2C(C)(C)C
InChIInChI=1S/C14H26N2O/c1-13(2,3)15-8-10-7-12(17)11(9-15)16(10)14(4,5)6/h10-11H,7-9H2,1-6H3
InChIKeyICBIOFQIUHCBGG-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.91
Rot. Bonds

About 3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octan-6-one

3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octan-6-one (PubChem CID 172514175) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octan-6-one.

Molecular Properties

Compound Name3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octan-6-one
PubChem CID172514175
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octan-6-one
SMILESCC(C)(C)N1CC2CC(=O)C(C1)N2C(C)(C)C
InChIInChI=1S/C14H26N2O/c1-13(2,3)15-8-10-7-12(17)11(9-15)16(10)14(4,5)6/h10-11H,7-9H2,1-6H3
InChIKeyICBIOFQIUHCBGG-UHFFFAOYSA-N
XLogP1.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Pentyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propan-2-one
CID 155218420
4-Methyl-1-(3-propyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pentan-3-one
CID 156886126
Ethane;4-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)butan-2-one
CID 156886127
4-Methyl-1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pentan-3-one
CID 156886445
2-(8-Tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2,5,5-trimethylhexan-3-one
CID 168726970
4-Methyl-1-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)pentan-3-one
CID 168740495
4-Methyl-1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pentan-3-one
CID 168740633
1-Amino-4-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)butan-2-one
CID 172489684
1,2-Dimethyl-5-(piperidin-1-ylmethyl)pyrrolidin-3-one
CID 174564304
1-(1-Methylpiperidin-3-yl)pyrrolidin-3-one
CID 61223424
1-(1-Ethylpiperidin-3-yl)pyrrolidin-3-one
CID 61480419
1-[(1-Methylpiperidin-2-yl)methyl]pyrrolidin-3-one
CID 61806894

Frequently Asked Questions

What is the IUPAC name of 3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octan-6-one?
The IUPAC name of 3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octan-6-one (CID 172514175) is 3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octan-6-one.
What is the SMILES notation for 3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octan-6-one?
The canonical SMILES for 3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octan-6-one is CC(C)(C)N1CC2CC(=O)C(C1)N2C(C)(C)C.
What is the InChIKey of 3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octan-6-one?
The InChIKey is ICBIOFQIUHCBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-13(2,3)15-8-10-7-12(17)11(9-15)16(10)14(4,5)6/h10-11H,7-9H2,1-6H3.
What are the key properties of 3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octan-6-one?
3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octan-6-one has a molecular weight of 238.37 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octan-6-one is sourced from PubChem (CID 172514175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).