1-(2-tert-butyl-2,7-diazaspiro[3.5]nonan-7-yl)-3,3-dimethylbutan-2-one

C17H32N2O — CID 168726993

IUPAC1-(2-tert-butyl-2,7-diazaspiro[3.5]nonan-7-yl)-3,3-dimethylbutan-2-one
SMILESCC(C)(C)C(=O)CN1CCC2(CC1)CN(C(C)(C)C)C2
InChIInChI=1S/C17H32N2O/c1-15(2,3)14(20)11-18-9-7-17(8-10-18)12-19(13-17)16(4,5)6/h7-13H2,1-6H3
InChIKeyAHUOQAUERKLAOL-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.80
Rot. Bonds2

About 1-(2-tert-butyl-2,7-diazaspiro[3.5]nonan-7-yl)-3,3-dimethylbutan-2-one

1-(2-tert-butyl-2,7-diazaspiro[3.5]nonan-7-yl)-3,3-dimethylbutan-2-one (PubChem CID 168726993) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-(2-tert-butyl-2,7-diazaspiro[3.5]nonan-7-yl)-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-(2-tert-butyl-2,7-diazaspiro[3.5]nonan-7-yl)-3,3-dimethylbutan-2-one
PubChem CID168726993
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-(2-tert-butyl-2,7-diazaspiro[3.5]nonan-7-yl)-3,3-dimethylbutan-2-one
SMILESCC(C)(C)C(=O)CN1CCC2(CC1)CN(C(C)(C)C)C2
InChIInChI=1S/C17H32N2O/c1-15(2,3)14(20)11-18-9-7-17(8-10-18)12-19(13-17)16(4,5)6/h7-13H2,1-6H3
InChIKeyAHUOQAUERKLAOL-UHFFFAOYSA-N
XLogP2.80
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-2,7-diazaspiro[3.5]nonan-7-yl)-3,3-dimethylbutan-2-one?
The IUPAC name of 1-(2-tert-butyl-2,7-diazaspiro[3.5]nonan-7-yl)-3,3-dimethylbutan-2-one (CID 168726993) is 1-(2-tert-butyl-2,7-diazaspiro[3.5]nonan-7-yl)-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-(2-tert-butyl-2,7-diazaspiro[3.5]nonan-7-yl)-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-(2-tert-butyl-2,7-diazaspiro[3.5]nonan-7-yl)-3,3-dimethylbutan-2-one is CC(C)(C)C(=O)CN1CCC2(CC1)CN(C(C)(C)C)C2.
What is the InChIKey of 1-(2-tert-butyl-2,7-diazaspiro[3.5]nonan-7-yl)-3,3-dimethylbutan-2-one?
The InChIKey is AHUOQAUERKLAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-15(2,3)14(20)11-18-9-7-17(8-10-18)12-19(13-17)16(4,5)6/h7-13H2,1-6H3.
What are the key properties of 1-(2-tert-butyl-2,7-diazaspiro[3.5]nonan-7-yl)-3,3-dimethylbutan-2-one?
1-(2-tert-butyl-2,7-diazaspiro[3.5]nonan-7-yl)-3,3-dimethylbutan-2-one has a molecular weight of 280.46 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-2,7-diazaspiro[3.5]nonan-7-yl)-3,3-dimethylbutan-2-one is sourced from PubChem (CID 168726993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).