1-methyl-2,6-dioxa-9-azaspiro[4.5]decane

C8H15NO2 — CID 82717591

IUPAC1-methyl-2,6-dioxa-9-azaspiro[4.5]decane
SMILESCC1OCCC12CNCCO2
InChIInChI=1S/C8H15NO2/c1-7-8(2-4-10-7)6-9-3-5-11-8/h7,9H,2-6H2,1H3
InChIKeyQFQKSHBHJGQPPT-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.15
Rot. Bonds

About 1-methyl-2,6-dioxa-9-azaspiro[4.5]decane

1-methyl-2,6-dioxa-9-azaspiro[4.5]decane (PubChem CID 82717591) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-methyl-2,6-dioxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name1-methyl-2,6-dioxa-9-azaspiro[4.5]decane
PubChem CID82717591
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-methyl-2,6-dioxa-9-azaspiro[4.5]decane
SMILESCC1OCCC12CNCCO2
InChIInChI=1S/C8H15NO2/c1-7-8(2-4-10-7)6-9-3-5-11-8/h7,9H,2-6H2,1H3
InChIKeyQFQKSHBHJGQPPT-UHFFFAOYSA-N
XLogP0.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,6-dioxa-9-azaspiro[4.5]decane?
The IUPAC name of 1-methyl-2,6-dioxa-9-azaspiro[4.5]decane (CID 82717591) is 1-methyl-2,6-dioxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 1-methyl-2,6-dioxa-9-azaspiro[4.5]decane?
The canonical SMILES for 1-methyl-2,6-dioxa-9-azaspiro[4.5]decane is CC1OCCC12CNCCO2.
What is the InChIKey of 1-methyl-2,6-dioxa-9-azaspiro[4.5]decane?
The InChIKey is QFQKSHBHJGQPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7-8(2-4-10-7)6-9-3-5-11-8/h7,9H,2-6H2,1H3.
What are the key properties of 1-methyl-2,6-dioxa-9-azaspiro[4.5]decane?
1-methyl-2,6-dioxa-9-azaspiro[4.5]decane has a molecular weight of 157.21 g/mol, XLogP of 0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,6-dioxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 82717591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).