1-(8-tert-butyl-2,8-diazaspiro[3.5]nonan-2-yl)-3,3-dimethylbutan-1-one

C17H32N2O — CID 168726992

IUPAC1-(8-tert-butyl-2,8-diazaspiro[3.5]nonan-2-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CC2(CCCN(C(C)(C)C)C2)C1
InChIInChI=1S/C17H32N2O/c1-15(2,3)10-14(20)18-11-17(12-18)8-7-9-19(13-17)16(4,5)6/h7-13H2,1-6H3
InChIKeyUSPPEEYLDODWGK-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.15
Rot. Bonds1

About 1-(8-tert-butyl-2,8-diazaspiro[3.5]nonan-2-yl)-3,3-dimethylbutan-1-one

1-(8-tert-butyl-2,8-diazaspiro[3.5]nonan-2-yl)-3,3-dimethylbutan-1-one (PubChem CID 168726992) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-(8-tert-butyl-2,8-diazaspiro[3.5]nonan-2-yl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(8-tert-butyl-2,8-diazaspiro[3.5]nonan-2-yl)-3,3-dimethylbutan-1-one
PubChem CID168726992
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-(8-tert-butyl-2,8-diazaspiro[3.5]nonan-2-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CC2(CCCN(C(C)(C)C)C2)C1
InChIInChI=1S/C17H32N2O/c1-15(2,3)10-14(20)18-11-17(12-18)8-7-9-19(13-17)16(4,5)6/h7-13H2,1-6H3
InChIKeyUSPPEEYLDODWGK-UHFFFAOYSA-N
XLogP3.15
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(8-tert-butyl-2,8-diazaspiro[3.5]nonan-2-yl)-3,3-dimethylbutan-1-one?
The IUPAC name of 1-(8-tert-butyl-2,8-diazaspiro[3.5]nonan-2-yl)-3,3-dimethylbutan-1-one (CID 168726992) is 1-(8-tert-butyl-2,8-diazaspiro[3.5]nonan-2-yl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-(8-tert-butyl-2,8-diazaspiro[3.5]nonan-2-yl)-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-(8-tert-butyl-2,8-diazaspiro[3.5]nonan-2-yl)-3,3-dimethylbutan-1-one is CC(C)(C)CC(=O)N1CC2(CCCN(C(C)(C)C)C2)C1.
What is the InChIKey of 1-(8-tert-butyl-2,8-diazaspiro[3.5]nonan-2-yl)-3,3-dimethylbutan-1-one?
The InChIKey is USPPEEYLDODWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-15(2,3)10-14(20)18-11-17(12-18)8-7-9-19(13-17)16(4,5)6/h7-13H2,1-6H3.
What are the key properties of 1-(8-tert-butyl-2,8-diazaspiro[3.5]nonan-2-yl)-3,3-dimethylbutan-1-one?
1-(8-tert-butyl-2,8-diazaspiro[3.5]nonan-2-yl)-3,3-dimethylbutan-1-one has a molecular weight of 280.46 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-tert-butyl-2,8-diazaspiro[3.5]nonan-2-yl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 168726992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).