ethane;9-methyl-2-oxa-9-azaspiro[5.5]undecane

C12H25NO — CID 143675049

IUPACethane;9-methyl-2-oxa-9-azaspiro[5.5]undecane
SMILESCC.CN1CCC2(CCCOC2)CC1
InChIInChI=1S/C10H19NO.C2H6/c1-11-6-4-10(5-7-11)3-2-8-12-9-10;1-2/h2-9H2,1H3;1-2H3
InChIKeyHMGWMWBHNZJAKI-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.54
Rot. Bonds

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

ethane;9-methyl-2-oxa-9-azaspiro[5.5]undecane (PubChem CID 143675049) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is ethane;9-methyl-2-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Nameethane;9-methyl-2-oxa-9-azaspiro[5.5]undecane
PubChem CID143675049
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Nameethane;9-methyl-2-oxa-9-azaspiro[5.5]undecane
SMILESCC.CN1CCC2(CCCOC2)CC1
InChIInChI=1S/C10H19NO.C2H6/c1-11-6-4-10(5-7-11)3-2-8-12-9-10;1-2/h2-9H2,1H3;1-2H3
InChIKeyHMGWMWBHNZJAKI-UHFFFAOYSA-N
XLogP2.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;9-methyl-2-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of ethane;9-methyl-2-oxa-9-azaspiro[5.5]undecane (CID 143675049) is ethane;9-methyl-2-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for ethane;9-methyl-2-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for ethane;9-methyl-2-oxa-9-azaspiro[5.5]undecane is CC.CN1CCC2(CCCOC2)CC1.
What is the InChIKey of ethane;9-methyl-2-oxa-9-azaspiro[5.5]undecane?
The InChIKey is HMGWMWBHNZJAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.C2H6/c1-11-6-4-10(5-7-11)3-2-8-12-9-10;1-2/h2-9H2,1H3;1-2H3.
What are the key properties of ethane;9-methyl-2-oxa-9-azaspiro[5.5]undecane?
ethane;9-methyl-2-oxa-9-azaspiro[5.5]undecane has a molecular weight of 199.34 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-methyl-2-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 143675049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).