9-[2-(oxolan-3-yl)ethyl]-1,4-dioxa-9-azaspiro[4.5]decane

C13H23NO3 — CID 130807357

IUPAC9-[2-(oxolan-3-yl)ethyl]-1,4-dioxa-9-azaspiro[4.5]decane
SMILESC1CN(CCC2CCOC2)CC2(C1)OCCO2
InChIInChI=1S/C13H23NO3/c1-4-13(16-8-9-17-13)11-14(5-1)6-2-12-3-7-15-10-12/h12H,1-11H2
InChIKeyALXQRIACHWVYIV-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.25
Rot. Bonds3

About 9-[2-(oxolan-3-yl)ethyl]-1,4-dioxa-9-azaspiro[4.5]decane

9-[2-(oxolan-3-yl)ethyl]-1,4-dioxa-9-azaspiro[4.5]decane (PubChem CID 130807357) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 9-[2-(oxolan-3-yl)ethyl]-1,4-dioxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-[2-(oxolan-3-yl)ethyl]-1,4-dioxa-9-azaspiro[4.5]decane
PubChem CID130807357
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name9-[2-(oxolan-3-yl)ethyl]-1,4-dioxa-9-azaspiro[4.5]decane
SMILESC1CN(CCC2CCOC2)CC2(C1)OCCO2
InChIInChI=1S/C13H23NO3/c1-4-13(16-8-9-17-13)11-14(5-1)6-2-12-3-7-15-10-12/h12H,1-11H2
InChIKeyALXQRIACHWVYIV-UHFFFAOYSA-N
XLogP1.25
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(oxan-4-ylmethyl)-1,4-dioxa-7-azaspiro[4.4]nonane
CID 131142357
9-[(2,2-difluorocyclopentyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 131007514
3-methyl-1-(oxolan-3-ylmethyl)piperidin-3-ol
CID 115873758
[4-[2-(oxolan-3-yl)ethyl]morpholin-2-yl]methanamine
CID 120844455
3-[2-(oxolan-3-yl)ethyl]-3,9-diazabicyclo[3.3.1]nonane
CID 120845704
[1-[2-(oxolan-3-yl)ethyl]pyrrolidin-3-yl]methanol
CID 102670847
1-(oxolan-3-ylmethyl)pyrrolidine
CID 66580688
1-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)-4-methylcyclohexan-1-ol
CID 75434952
3-[2-(oxolan-3-yl)ethyl]-3,9-diazabicyclo[3.3.1]nonane;hydrochloride
CID 120845703
1-[2-(oxolan-3-yl)ethyl]-3-propan-2-yl-1,4-diazepane
CID 114129866
cyclobutyl-[4-[2-(oxolan-3-yl)ethyl]piperazin-1-yl]methanone
CID 131899076
N-(cyclopropylmethyl)-1-[2-(oxolan-3-yl)ethyl]piperidin-4-amine
CID 120841561

Frequently Asked Questions

What is the IUPAC name of 9-[2-(oxolan-3-yl)ethyl]-1,4-dioxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-[2-(oxolan-3-yl)ethyl]-1,4-dioxa-9-azaspiro[4.5]decane (CID 130807357) is 9-[2-(oxolan-3-yl)ethyl]-1,4-dioxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-[2-(oxolan-3-yl)ethyl]-1,4-dioxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-[2-(oxolan-3-yl)ethyl]-1,4-dioxa-9-azaspiro[4.5]decane is C1CN(CCC2CCOC2)CC2(C1)OCCO2.
What is the InChIKey of 9-[2-(oxolan-3-yl)ethyl]-1,4-dioxa-9-azaspiro[4.5]decane?
The InChIKey is ALXQRIACHWVYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-4-13(16-8-9-17-13)11-14(5-1)6-2-12-3-7-15-10-12/h12H,1-11H2.
What are the key properties of 9-[2-(oxolan-3-yl)ethyl]-1,4-dioxa-9-azaspiro[4.5]decane?
9-[2-(oxolan-3-yl)ethyl]-1,4-dioxa-9-azaspiro[4.5]decane has a molecular weight of 241.33 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(oxolan-3-yl)ethyl]-1,4-dioxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 130807357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).