1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-1-one

C14H26N2O — CID 82038247

IUPAC1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C14H26N2O/c1-12(2)9-13(17)16-8-4-6-14(11-16)5-3-7-15-10-14/h12,15H,3-11H2,1-2H3
InChIKeyHBZBZOHXYWOWFN-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.02
Rot. Bonds2

About 1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-1-one

1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-1-one (PubChem CID 82038247) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-1-one
PubChem CID82038247
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C14H26N2O/c1-12(2)9-13(17)16-8-4-6-14(11-16)5-3-7-15-10-14/h12,15H,3-11H2,1-2H3
InChIKeyHBZBZOHXYWOWFN-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,8-diazaspiro[5.5]undecan-2-yl)butane-1,3-dione
CID 110460606
1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethoxyethanone
CID 102849595
1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methoxypropan-1-one
CID 82038245
2-cyclohexyl-1-(2,8-diazaspiro[5.5]undecan-2-yl)ethanone
CID 102849929
1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-1-one
CID 58688971
3-cyclopentyl-1-(2,8-diazaspiro[5.5]undecan-2-yl)propan-1-one
CID 102849644
1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-hydroxyphenyl)ethanone
CID 82038156
2,8-diazaspiro[5.5]undecan-2-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 102849814
2-(2,8-diazaspiro[5.5]undecan-2-yl)-1-piperidin-1-ylpropan-1-one
CID 102850231
(Z)-1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methylpent-2-en-1-one
CID 102849643
1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(oxan-2-yl)ethanone
CID 102849816
cyclobutyl(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849782

Frequently Asked Questions

What is the IUPAC name of 1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-1-one?
The IUPAC name of 1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-1-one (CID 82038247) is 1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-1-one.
What is the SMILES notation for 1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-1-one?
The canonical SMILES for 1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-1-one is CC(C)CC(=O)N1CCCC2(CCCNC2)C1.
What is the InChIKey of 1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-1-one?
The InChIKey is HBZBZOHXYWOWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-12(2)9-13(17)16-8-4-6-14(11-16)5-3-7-15-10-14/h12,15H,3-11H2,1-2H3.
What are the key properties of 1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-1-one?
1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-1-one has a molecular weight of 238.37 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-1-one is sourced from PubChem (CID 82038247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).