1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane

C9H17NO2 — CID 82719355

IUPAC1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane
SMILESCC1CNCC2(CCOC2C)O1
InChIInChI=1S/C9H17NO2/c1-7-5-10-6-9(12-7)3-4-11-8(9)2/h7-8,10H,3-6H2,1-2H3
InChIKeyVQSCMTULQXPQSY-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.54
Rot. Bonds

About 1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane

1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane (PubChem CID 82719355) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane
PubChem CID82719355
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane
SMILESCC1CNCC2(CCOC2C)O1
InChIInChI=1S/C9H17NO2/c1-7-5-10-6-9(12-7)3-4-11-8(9)2/h7-8,10H,3-6H2,1-2H3
InChIKeyVQSCMTULQXPQSY-UHFFFAOYSA-N
XLogP0.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane?
The IUPAC name of 1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane (CID 82719355) is 1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane?
The canonical SMILES for 1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane is CC1CNCC2(CCOC2C)O1.
What is the InChIKey of 1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane?
The InChIKey is VQSCMTULQXPQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7-5-10-6-9(12-7)3-4-11-8(9)2/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane?
1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane has a molecular weight of 171.24 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 82719355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).