ethane;7-propyl-2-oxa-7-azaspiro[4.4]nonane

C12H25NO — CID 171515874

IUPACethane;7-propyl-2-oxa-7-azaspiro[4.4]nonane
SMILESCC.CCCN1CCC2(CCOC2)C1
InChIInChI=1S/C10H19NO.C2H6/c1-2-5-11-6-3-10(8-11)4-7-12-9-10;1-2/h2-9H2,1H3;1-2H3
InChIKeyJITDYTOEONVQOE-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.54
Rot. Bonds2

About ethane;7-propyl-2-oxa-7-azaspiro[4.4]nonane

ethane;7-propyl-2-oxa-7-azaspiro[4.4]nonane (PubChem CID 171515874) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is ethane;7-propyl-2-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Nameethane;7-propyl-2-oxa-7-azaspiro[4.4]nonane
PubChem CID171515874
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Nameethane;7-propyl-2-oxa-7-azaspiro[4.4]nonane
SMILESCC.CCCN1CCC2(CCOC2)C1
InChIInChI=1S/C10H19NO.C2H6/c1-2-5-11-6-3-10(8-11)4-7-12-9-10;1-2/h2-9H2,1H3;1-2H3
InChIKeyJITDYTOEONVQOE-UHFFFAOYSA-N
XLogP2.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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;7-propyl-2-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of ethane;7-propyl-2-oxa-7-azaspiro[4.4]nonane (CID 171515874) is ethane;7-propyl-2-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for ethane;7-propyl-2-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for ethane;7-propyl-2-oxa-7-azaspiro[4.4]nonane is CC.CCCN1CCC2(CCOC2)C1.
What is the InChIKey of ethane;7-propyl-2-oxa-7-azaspiro[4.4]nonane?
The InChIKey is JITDYTOEONVQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.C2H6/c1-2-5-11-6-3-10(8-11)4-7-12-9-10;1-2/h2-9H2,1H3;1-2H3.
What are the key properties of ethane;7-propyl-2-oxa-7-azaspiro[4.4]nonane?
ethane;7-propyl-2-oxa-7-azaspiro[4.4]nonane has a molecular weight of 199.34 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-propyl-2-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 171515874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).