9-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane

C12H23NO — CID 62110597

IUPAC9-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane
SMILESCC(C)C1CCC2(CC1)CNCCO2
InChIInChI=1S/C12H23NO/c1-10(2)11-3-5-12(6-4-11)9-13-7-8-14-12/h10-11,13H,3-9H2,1-2H3
InChIKeyUGBJUBAUZNPVFS-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds1

About 9-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane

9-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane (PubChem CID 62110597) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 9-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane
PubChem CID62110597
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name9-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane
SMILESCC(C)C1CCC2(CC1)CNCCO2
InChIInChI=1S/C12H23NO/c1-10(2)11-3-5-12(6-4-11)9-13-7-8-14-12/h10-11,13H,3-9H2,1-2H3
InChIKeyUGBJUBAUZNPVFS-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Oxa-4-azaspiro[5.5]undecane
CID 23356342
2-Methyl-1-oxa-4-azaspiro[5.5]undecane
CID 55262469
2-(2,6-Dimethylcyclohexyl)-2-fluoromorpholine
CID 175482472
N-[[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine
CID 55036776
N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine
CID 62108898
N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine
CID 62108899
N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
CID 62108900
N-[[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine
CID 62109072
N-[[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine
CID 62111092
N-methyl-1-[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 62111424
2-methyl-N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
CID 63474136
N-[[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine
CID 63474137

Frequently Asked Questions

What is the IUPAC name of 9-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane?
The IUPAC name of 9-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane (CID 62110597) is 9-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane.
What is the SMILES notation for 9-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane?
The canonical SMILES for 9-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane is CC(C)C1CCC2(CC1)CNCCO2.
What is the InChIKey of 9-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane?
The InChIKey is UGBJUBAUZNPVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)11-3-5-12(6-4-11)9-13-7-8-14-12/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 9-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane?
9-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane has a molecular weight of 197.32 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane is sourced from PubChem (CID 62110597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).