9-benzyl-5,8-dioxa-1-azaspiro[3.5]nonane

C13H17NO2 — CID 70380941

IUPAC9-benzyl-5,8-dioxa-1-azaspiro[3.5]nonane
SMILESc1ccc(CC2OCCOC23CCN3)cc1
InChIInChI=1S/C13H17NO2/c1-2-4-11(5-3-1)10-12-13(6-7-14-13)16-9-8-15-12/h1-5,12,14H,6-10H2
InChIKeyMUHPARYOLSDSHV-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.33
Rot. Bonds2

About 9-benzyl-5,8-dioxa-1-azaspiro[3.5]nonane

9-benzyl-5,8-dioxa-1-azaspiro[3.5]nonane (PubChem CID 70380941) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 9-benzyl-5,8-dioxa-1-azaspiro[3.5]nonane.

Molecular Properties

Compound Name9-benzyl-5,8-dioxa-1-azaspiro[3.5]nonane
PubChem CID70380941
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name9-benzyl-5,8-dioxa-1-azaspiro[3.5]nonane
SMILESc1ccc(CC2OCCOC23CCN3)cc1
InChIInChI=1S/C13H17NO2/c1-2-4-11(5-3-1)10-12-13(6-7-14-13)16-9-8-15-12/h1-5,12,14H,6-10H2
InChIKeyMUHPARYOLSDSHV-UHFFFAOYSA-N
XLogP1.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-benzyl-5,8-dioxa-1-azaspiro[3.5]nonane?
The IUPAC name of 9-benzyl-5,8-dioxa-1-azaspiro[3.5]nonane (CID 70380941) is 9-benzyl-5,8-dioxa-1-azaspiro[3.5]nonane.
What is the SMILES notation for 9-benzyl-5,8-dioxa-1-azaspiro[3.5]nonane?
The canonical SMILES for 9-benzyl-5,8-dioxa-1-azaspiro[3.5]nonane is c1ccc(CC2OCCOC23CCN3)cc1.
What is the InChIKey of 9-benzyl-5,8-dioxa-1-azaspiro[3.5]nonane?
The InChIKey is MUHPARYOLSDSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-4-11(5-3-1)10-12-13(6-7-14-13)16-9-8-15-12/h1-5,12,14H,6-10H2.
What are the key properties of 9-benzyl-5,8-dioxa-1-azaspiro[3.5]nonane?
9-benzyl-5,8-dioxa-1-azaspiro[3.5]nonane has a molecular weight of 219.28 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-5,8-dioxa-1-azaspiro[3.5]nonane is sourced from PubChem (CID 70380941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).