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

C13H29NO — CID 171514883

IUPACethane;2-propyl-6-oxa-2-azaspiro[3.4]octane
SMILESCC.CC.CCCN1CC2(CCOC2)C1
InChIInChI=1S/C9H17NO.2C2H6/c1-2-4-10-6-9(7-10)3-5-11-8-9;2*1-2/h2-8H2,1H3;2*1-2H3
InChIKeyFDXJTFUFFWLFDB-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.17
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 171514883) has the molecular formula C13H29NO and a molecular weight of 215.38 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 CID171514883
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Nameethane;2-propyl-6-oxa-2-azaspiro[3.4]octane
SMILESCC.CC.CCCN1CC2(CCOC2)C1
InChIInChI=1S/C9H17NO.2C2H6/c1-2-4-10-6-9(7-10)3-5-11-8-9;2*1-2/h2-8H2,1H3;2*1-2H3
InChIKeyFDXJTFUFFWLFDB-UHFFFAOYSA-N
XLogP3.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.17
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 171514883) 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.CC.CCCN1CC2(CCOC2)C1.
What is the InChIKey of ethane;2-propyl-6-oxa-2-azaspiro[3.4]octane?
The InChIKey is FDXJTFUFFWLFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.2C2H6/c1-2-4-10-6-9(7-10)3-5-11-8-9;2*1-2/h2-8H2,1H3;2*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 215.38 g/mol, XLogP of 3.17, 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 171514883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).