8-(2,4-dimethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane

C15H21NO2 — CID 10610507

IUPAC8-(2,4-dimethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1ccc(N2CCC3(CC2)OCCO3)c(C)c1
InChIInChI=1S/C15H21NO2/c1-12-3-4-14(13(2)11-12)16-7-5-15(6-8-16)17-9-10-18-15/h3-4,11H,5-10H2,1-2H3
InChIKeyOEMWLGIBTZNGQN-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.65
Rot. Bonds1

About 8-(2,4-dimethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(2,4-dimethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 10610507) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 8-(2,4-dimethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2,4-dimethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID10610507
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name8-(2,4-dimethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1ccc(N2CCC3(CC2)OCCO3)c(C)c1
InChIInChI=1S/C15H21NO2/c1-12-3-4-14(13(2)11-12)16-7-5-15(6-8-16)17-9-10-18-15/h3-4,11H,5-10H2,1-2H3
InChIKeyOEMWLGIBTZNGQN-UHFFFAOYSA-N
XLogP2.65
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dimethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(2,4-dimethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 10610507) is 8-(2,4-dimethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(2,4-dimethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(2,4-dimethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane is Cc1ccc(N2CCC3(CC2)OCCO3)c(C)c1.
What is the InChIKey of 8-(2,4-dimethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is OEMWLGIBTZNGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12-3-4-14(13(2)11-12)16-7-5-15(6-8-16)17-9-10-18-15/h3-4,11H,5-10H2,1-2H3.
What are the key properties of 8-(2,4-dimethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(2,4-dimethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 247.34 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dimethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 10610507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).