3-cyclohexyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane

C18H33NO2 — CID 145238051

IUPAC3-cyclohexyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCC1(C)CC2(CC(C)(C)N1)OCC(C1CCCCC1)CO2
InChIInChI=1S/C18H33NO2/c1-16(2)12-18(13-17(3,4)19-16)20-10-15(11-21-18)14-8-6-5-7-9-14/h14-15,19H,5-13H2,1-4H3
InChIKeyMGKSXKWNVMISBS-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.87
Rot. Bonds1

About 3-cyclohexyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane

3-cyclohexyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane (PubChem CID 145238051) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 3-cyclohexyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3-cyclohexyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane
PubChem CID145238051
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name3-cyclohexyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCC1(C)CC2(CC(C)(C)N1)OCC(C1CCCCC1)CO2
InChIInChI=1S/C18H33NO2/c1-16(2)12-18(13-17(3,4)19-16)20-10-15(11-21-18)14-8-6-5-7-9-14/h14-15,19H,5-13H2,1-4H3
InChIKeyMGKSXKWNVMISBS-UHFFFAOYSA-N
XLogP3.87
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,4,4-tetramethyl-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene
CID 14389101
CID 18602036
CID 18602036
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 43222789
cyclohexylcycloheptane
CID 524589
(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
cyclononylcycloicosane
CID 123187062
(14R)-17,19-dioxatricyclo[11.3.2.11,14]nonadecane
CID 135028450
3-methyl-3-propan-2-yl-2,5,5a,6,7,8,9,9a-octahydro-1H-benzo[e][1,4]oxazepine
CID 106364391
N-cyclooctyl-2,2-dimethyl-1,3-dioxan-5-amine
CID 113429645
1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
CID 58552309
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane
CID 158726060
azane;cyclohexylcyclohexane
CID 66583255

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane?
The IUPAC name of 3-cyclohexyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane (CID 145238051) is 3-cyclohexyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 3-cyclohexyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 3-cyclohexyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane is CC1(C)CC2(CC(C)(C)N1)OCC(C1CCCCC1)CO2.
What is the InChIKey of 3-cyclohexyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane?
The InChIKey is MGKSXKWNVMISBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-16(2)12-18(13-17(3,4)19-16)20-10-15(11-21-18)14-8-6-5-7-9-14/h14-15,19H,5-13H2,1-4H3.
What are the key properties of 3-cyclohexyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane?
3-cyclohexyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane has a molecular weight of 295.47 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 145238051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).