2,8-diazaspiro[5.5]undecan-2-yl-(2,2-dimethylcyclohexyl)methanone

C18H32N2O — CID 107181114

IUPAC2,8-diazaspiro[5.5]undecan-2-yl-(2,2-dimethylcyclohexyl)methanone
SMILESCC1(C)CCCCC1C(=O)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C18H32N2O/c1-17(2)8-4-3-7-15(17)16(21)20-12-6-10-18(14-20)9-5-11-19-13-18/h15,19H,3-14H2,1-2H3
InChIKeyIIFRTUXBBNCSLS-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.19
Rot. Bonds1

About 2,8-diazaspiro[5.5]undecan-2-yl-(2,2-dimethylcyclohexyl)methanone

2,8-diazaspiro[5.5]undecan-2-yl-(2,2-dimethylcyclohexyl)methanone (PubChem CID 107181114) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 2,8-diazaspiro[5.5]undecan-2-yl-(2,2-dimethylcyclohexyl)methanone.

Molecular Properties

Compound Name2,8-diazaspiro[5.5]undecan-2-yl-(2,2-dimethylcyclohexyl)methanone
PubChem CID107181114
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name2,8-diazaspiro[5.5]undecan-2-yl-(2,2-dimethylcyclohexyl)methanone
SMILESCC1(C)CCCCC1C(=O)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C18H32N2O/c1-17(2)8-4-3-7-15(17)16(21)20-12-6-10-18(14-20)9-5-11-19-13-18/h15,19H,3-14H2,1-2H3
InChIKeyIIFRTUXBBNCSLS-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,8-diazaspiro[5.5]undecan-2-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 102849814
cyclobutyl(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849782
2,8-diazaspiro[5.5]undecan-2-yl-(1-methylpyrrolidin-3-yl)methanone
CID 102849661
cyclobutyl(2,9-diazaspiro[4.5]decan-2-yl)methanone
CID 134068804
2-cyclohexyl-1-(2,8-diazaspiro[5.5]undecan-2-yl)ethanone
CID 102849929
2-bicyclo[2.2.1]heptanyl(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849915
3-cyclopentyl-1-(2,8-diazaspiro[5.5]undecan-2-yl)propan-1-one
CID 102849644
(2,2-dimethylcyclohexyl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 107180891
1-(2,8-diazaspiro[5.5]undecan-2-yl)butane-1,3-dione
CID 110460606
1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-1-one
CID 82038247
2,8-diazaspiro[5.5]undecan-2-yl-(3,5-dimethylphenyl)methanone
CID 102849786
1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(oxan-2-yl)ethanone
CID 102849816

Frequently Asked Questions

What is the IUPAC name of 2,8-diazaspiro[5.5]undecan-2-yl-(2,2-dimethylcyclohexyl)methanone?
The IUPAC name of 2,8-diazaspiro[5.5]undecan-2-yl-(2,2-dimethylcyclohexyl)methanone (CID 107181114) is 2,8-diazaspiro[5.5]undecan-2-yl-(2,2-dimethylcyclohexyl)methanone.
What is the SMILES notation for 2,8-diazaspiro[5.5]undecan-2-yl-(2,2-dimethylcyclohexyl)methanone?
The canonical SMILES for 2,8-diazaspiro[5.5]undecan-2-yl-(2,2-dimethylcyclohexyl)methanone is CC1(C)CCCCC1C(=O)N1CCCC2(CCCNC2)C1.
What is the InChIKey of 2,8-diazaspiro[5.5]undecan-2-yl-(2,2-dimethylcyclohexyl)methanone?
The InChIKey is IIFRTUXBBNCSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-17(2)8-4-3-7-15(17)16(21)20-12-6-10-18(14-20)9-5-11-19-13-18/h15,19H,3-14H2,1-2H3.
What are the key properties of 2,8-diazaspiro[5.5]undecan-2-yl-(2,2-dimethylcyclohexyl)methanone?
2,8-diazaspiro[5.5]undecan-2-yl-(2,2-dimethylcyclohexyl)methanone has a molecular weight of 292.47 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diazaspiro[5.5]undecan-2-yl-(2,2-dimethylcyclohexyl)methanone is sourced from PubChem (CID 107181114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).