2,9-dimethyl-3-propyl-1-oxa-9-azaspiro[5.5]undecane

C14H27NO — CID 134242977

IUPAC2,9-dimethyl-3-propyl-1-oxa-9-azaspiro[5.5]undecane
SMILESCCCC1CCC2(CCN(C)CC2)OC1C
InChIInChI=1S/C14H27NO/c1-4-5-13-6-7-14(16-12(13)2)8-10-15(3)11-9-14/h12-13H,4-11H2,1-3H3
InChIKeyWVJBRESFIUPQGE-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.07
Rot. Bonds2

About 2,9-dimethyl-3-propyl-1-oxa-9-azaspiro[5.5]undecane

2,9-dimethyl-3-propyl-1-oxa-9-azaspiro[5.5]undecane (PubChem CID 134242977) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2,9-dimethyl-3-propyl-1-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name2,9-dimethyl-3-propyl-1-oxa-9-azaspiro[5.5]undecane
PubChem CID134242977
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2,9-dimethyl-3-propyl-1-oxa-9-azaspiro[5.5]undecane
SMILESCCCC1CCC2(CCN(C)CC2)OC1C
InChIInChI=1S/C14H27NO/c1-4-5-13-6-7-14(16-12(13)2)8-10-15(3)11-9-14/h12-13H,4-11H2,1-3H3
InChIKeyWVJBRESFIUPQGE-UHFFFAOYSA-N
XLogP3.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-3-propyl-1-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 2,9-dimethyl-3-propyl-1-oxa-9-azaspiro[5.5]undecane (CID 134242977) is 2,9-dimethyl-3-propyl-1-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 2,9-dimethyl-3-propyl-1-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 2,9-dimethyl-3-propyl-1-oxa-9-azaspiro[5.5]undecane is CCCC1CCC2(CCN(C)CC2)OC1C.
What is the InChIKey of 2,9-dimethyl-3-propyl-1-oxa-9-azaspiro[5.5]undecane?
The InChIKey is WVJBRESFIUPQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-5-13-6-7-14(16-12(13)2)8-10-15(3)11-9-14/h12-13H,4-11H2,1-3H3.
What are the key properties of 2,9-dimethyl-3-propyl-1-oxa-9-azaspiro[5.5]undecane?
2,9-dimethyl-3-propyl-1-oxa-9-azaspiro[5.5]undecane has a molecular weight of 225.38 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-3-propyl-1-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 134242977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).