ethane;9-ethyl-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane

C13H28N2O — CID 171845223

IUPACethane;9-ethyl-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCC.CCN1CCC2(CC1)CN(C)CCO2
InChIInChI=1S/C11H22N2O.C2H6/c1-3-13-6-4-11(5-7-13)10-12(2)8-9-14-11;1-2/h3-10H2,1-2H3;1-2H3
InChIKeyPIQLPTUWYARHDJ-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.83
Rot. Bonds1

About ethane;9-ethyl-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane

ethane;9-ethyl-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 171845223) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is ethane;9-ethyl-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Nameethane;9-ethyl-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID171845223
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Nameethane;9-ethyl-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCC.CCN1CCC2(CC1)CN(C)CCO2
InChIInChI=1S/C11H22N2O.C2H6/c1-3-13-6-4-11(5-7-13)10-12(2)8-9-14-11;1-2/h3-10H2,1-2H3;1-2H3
InChIKeyPIQLPTUWYARHDJ-UHFFFAOYSA-N
XLogP1.83
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,9-diethyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 154672699
7-ethyl-1-oxa-7-azaspiro[3.4]octane
CID 121247158
(4S)-7-methyl-1-oxa-7-azaspiro[3.4]octane
CID 177187480
9-fluoro-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 166686001
4-methyl-1-oxa-4-azaspiro[5.5]undecane
CID 23544679
(4R)-8-methyl-1-oxa-8-azaspiro[3.5]nonane
CID 167468548
(5S)-9-methyl-1-oxa-9-azaspiro[4.5]decane
CID 167468674
7-propyl-1-oxa-7-azaspiro[3.5]nonane
CID 131102344
9-ethyl-1-oxa-9-azaspiro[4.5]decane
CID 123211534
3-hydroxy-2,2-dimethyl-1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)propan-1-one
CID 162628856
7-butyl-1-oxa-7-azaspiro[4.4]nonane;propane
CID 176923724
8-ethyl-1,4-dioxa-8-azaspiro[4.5]decane;4-ethylmorpholine
CID 91090838

Frequently Asked Questions

What is the IUPAC name of ethane;9-ethyl-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of ethane;9-ethyl-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane (CID 171845223) is ethane;9-ethyl-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for ethane;9-ethyl-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for ethane;9-ethyl-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane is CC.CCN1CCC2(CC1)CN(C)CCO2.
What is the InChIKey of ethane;9-ethyl-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is PIQLPTUWYARHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O.C2H6/c1-3-13-6-4-11(5-7-13)10-12(2)8-9-14-11;1-2/h3-10H2,1-2H3;1-2H3.
What are the key properties of ethane;9-ethyl-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
ethane;9-ethyl-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 228.38 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-ethyl-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 171845223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).