ethane;3-ethyl-2-oxa-9-azaspiro[5.5]undecane

C13H27NO — CID 156636987

IUPACethane;3-ethyl-2-oxa-9-azaspiro[5.5]undecane
SMILESCC.CCC1CCC2(CCNCC2)CO1
InChIInChI=1S/C11H21NO.C2H6/c1-2-10-3-4-11(9-13-10)5-7-12-8-6-11;1-2/h10,12H,2-9H2,1H3;1-2H3
InChIKeyLPVBPNWOUQJAJC-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds1

About ethane;3-ethyl-2-oxa-9-azaspiro[5.5]undecane

ethane;3-ethyl-2-oxa-9-azaspiro[5.5]undecane (PubChem CID 156636987) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is ethane;3-ethyl-2-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Nameethane;3-ethyl-2-oxa-9-azaspiro[5.5]undecane
PubChem CID156636987
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Nameethane;3-ethyl-2-oxa-9-azaspiro[5.5]undecane
SMILESCC.CCC1CCC2(CCNCC2)CO1
InChIInChI=1S/C11H21NO.C2H6/c1-2-10-3-4-11(9-13-10)5-7-12-8-6-11;1-2/h10,12H,2-9H2,1H3;1-2H3
InChIKeyLPVBPNWOUQJAJC-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-2-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of ethane;3-ethyl-2-oxa-9-azaspiro[5.5]undecane (CID 156636987) is ethane;3-ethyl-2-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for ethane;3-ethyl-2-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for ethane;3-ethyl-2-oxa-9-azaspiro[5.5]undecane is CC.CCC1CCC2(CCNCC2)CO1.
What is the InChIKey of ethane;3-ethyl-2-oxa-9-azaspiro[5.5]undecane?
The InChIKey is LPVBPNWOUQJAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.C2H6/c1-2-10-3-4-11(9-13-10)5-7-12-8-6-11;1-2/h10,12H,2-9H2,1H3;1-2H3.
What are the key properties of ethane;3-ethyl-2-oxa-9-azaspiro[5.5]undecane?
ethane;3-ethyl-2-oxa-9-azaspiro[5.5]undecane has a molecular weight of 213.36 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-2-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 156636987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).