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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Related Compounds

2-(2-tert-butyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid
CID 138746899
2-tert-butyl-7-(2,2-dimethylpropyl)-2,7-diazaspiro[3.5]nonane
CID 171406778
1-(2-tert-butyl-2,7-diazaspiro[3.5]nonan-7-yl)-2-(4-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 176634059
1-(3-hydroxy-3-methylazetidin-1-yl)-3,3-dimethylbutan-2-one
CID 131181729
1-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one
CID 176737009
3,3-dimethyl-1-piperazin-1-ylbutan-2-one;dihydrochloride
CID 43810585
7-(azetidin-3-ylmethyl)-2-tert-butyl-2,7-diazaspiro[3.5]nonane
CID 172511446
2-tert-butyl-7-(3,3-dimethylbutyl)-2,7-diazaspiro[3.4]octane
CID 153485931
2-tert-butyl-2-azaspiro[3.3]heptane
CID 58166810
7-tert-butyl-2-ethyl-2,7-diazaspiro[4.5]decane
CID 118001208
2-tert-butyl-8-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decane
CID 153486080
3,3-dimethyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-2-one
CID 110709718

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).