ethane;2-propyl-6-oxa-2-azaspiro[3.4]octane

C11H23NO — CID 171516049

IUPACethane;2-propyl-6-oxa-2-azaspiro[3.4]octane
SMILESCC.CCCN1CC2(CCOC2)C1
InChIInChI=1S/C9H17NO.C2H6/c1-2-4-10-6-9(7-10)3-5-11-8-9;1-2/h2-8H2,1H3;1-2H3
InChIKeyZDNGPCMRUGSLIY-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.14
Rot. Bonds2

About ethane;2-propyl-6-oxa-2-azaspiro[3.4]octane

ethane;2-propyl-6-oxa-2-azaspiro[3.4]octane (PubChem CID 171516049) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is ethane;2-propyl-6-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Nameethane;2-propyl-6-oxa-2-azaspiro[3.4]octane
PubChem CID171516049
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Nameethane;2-propyl-6-oxa-2-azaspiro[3.4]octane
SMILESCC.CCCN1CC2(CCOC2)C1
InChIInChI=1S/C9H17NO.C2H6/c1-2-4-10-6-9(7-10)3-5-11-8-9;1-2/h2-8H2,1H3;1-2H3
InChIKeyZDNGPCMRUGSLIY-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-propyl-6-oxa-2-azaspiro[3.4]octane?
The IUPAC name of ethane;2-propyl-6-oxa-2-azaspiro[3.4]octane (CID 171516049) is ethane;2-propyl-6-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for ethane;2-propyl-6-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for ethane;2-propyl-6-oxa-2-azaspiro[3.4]octane is CC.CCCN1CC2(CCOC2)C1.
What is the InChIKey of ethane;2-propyl-6-oxa-2-azaspiro[3.4]octane?
The InChIKey is ZDNGPCMRUGSLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C2H6/c1-2-4-10-6-9(7-10)3-5-11-8-9;1-2/h2-8H2,1H3;1-2H3.
What are the key properties of ethane;2-propyl-6-oxa-2-azaspiro[3.4]octane?
ethane;2-propyl-6-oxa-2-azaspiro[3.4]octane has a molecular weight of 185.31 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propyl-6-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 171516049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).