8-(3,6-dimethylpyrazin-2-yl)-1-oxa-8-azaspiro[4.5]decane

C14H21N3O — CID 56870835

IUPAC8-(3,6-dimethylpyrazin-2-yl)-1-oxa-8-azaspiro[4.5]decane
SMILESCc1cnc(C)c(N2CCC3(CCCO3)CC2)n1
InChIInChI=1S/C14H21N3O/c1-11-10-15-12(2)13(16-11)17-7-5-14(6-8-17)4-3-9-18-14/h10H,3-9H2,1-2H3
InChIKeyZMNNTUOPPRULPR-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.24
Rot. Bonds1

About 8-(3,6-dimethylpyrazin-2-yl)-1-oxa-8-azaspiro[4.5]decane

8-(3,6-dimethylpyrazin-2-yl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 56870835) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 8-(3,6-dimethylpyrazin-2-yl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(3,6-dimethylpyrazin-2-yl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID56870835
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name8-(3,6-dimethylpyrazin-2-yl)-1-oxa-8-azaspiro[4.5]decane
SMILESCc1cnc(C)c(N2CCC3(CCCO3)CC2)n1
InChIInChI=1S/C14H21N3O/c1-11-10-15-12(2)13(16-11)17-7-5-14(6-8-17)4-3-9-18-14/h10H,3-9H2,1-2H3
InChIKeyZMNNTUOPPRULPR-UHFFFAOYSA-N
XLogP2.24
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(3,6-dimethylpyrazin-2-yl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(3,6-dimethylpyrazin-2-yl)-1-oxa-8-azaspiro[4.5]decane (CID 56870835) is 8-(3,6-dimethylpyrazin-2-yl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(3,6-dimethylpyrazin-2-yl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(3,6-dimethylpyrazin-2-yl)-1-oxa-8-azaspiro[4.5]decane is Cc1cnc(C)c(N2CCC3(CCCO3)CC2)n1.
What is the InChIKey of 8-(3,6-dimethylpyrazin-2-yl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is ZMNNTUOPPRULPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-10-15-12(2)13(16-11)17-7-5-14(6-8-17)4-3-9-18-14/h10H,3-9H2,1-2H3.
What are the key properties of 8-(3,6-dimethylpyrazin-2-yl)-1-oxa-8-azaspiro[4.5]decane?
8-(3,6-dimethylpyrazin-2-yl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 247.34 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,6-dimethylpyrazin-2-yl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 56870835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).