ethane;9-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane

C14H29NO — CID 176693659

IUPACethane;9-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane
SMILESCC.CC(C)N1CCC2(CCCOC2)CC1
InChIInChI=1S/C12H23NO.C2H6/c1-11(2)13-7-5-12(6-8-13)4-3-9-14-10-12;1-2/h11H,3-10H2,1-2H3;1-2H3
InChIKeyFOLQDHLNYXCKNU-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.31
Rot. Bonds1

About ethane;9-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane

ethane;9-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane (PubChem CID 176693659) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is ethane;9-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Nameethane;9-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane
PubChem CID176693659
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Nameethane;9-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane
SMILESCC.CC(C)N1CCC2(CCCOC2)CC1
InChIInChI=1S/C12H23NO.C2H6/c1-11(2)13-7-5-12(6-8-13)4-3-9-14-10-12;1-2/h11H,3-10H2,1-2H3;1-2H3
InChIKeyFOLQDHLNYXCKNU-UHFFFAOYSA-N
XLogP3.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane
CID 163266549
7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane
CID 90348092
ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane
CID 158223756
ethane;2-propan-2-yl-2-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[4.4]nonane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane
CID 167593121
2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;ethane
CID 172605205
ethane;9-propan-2-yl-1-oxa-9-azaspiro[4.6]undecane
CID 158051450
2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonane
CID 170709269
ethane;2-propan-2-yl-2-azaspiro[4.5]decane
CID 144877753
2,9-dioxaspiro[4.6]undecane
CID 118210519
ethane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane
CID 154672647
2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 167655011
ethane;8-methyl-2-oxa-8-azaspiro[4.5]decane
CID 143674981

Frequently Asked Questions

What is the IUPAC name of ethane;9-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of ethane;9-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane (CID 176693659) is ethane;9-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for ethane;9-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for ethane;9-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane is CC.CC(C)N1CCC2(CCCOC2)CC1.
What is the InChIKey of ethane;9-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane?
The InChIKey is FOLQDHLNYXCKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO.C2H6/c1-11(2)13-7-5-12(6-8-13)4-3-9-14-10-12;1-2/h11H,3-10H2,1-2H3;1-2H3.
What are the key properties of ethane;9-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane?
ethane;9-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane has a molecular weight of 227.39 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 176693659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).