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

C10H19NO2 — CID 82719467

IUPAC1,7,7-trimethyl-2,6-dioxa-9-azaspiro[4.5]decane
SMILESCC1OCCC12CNCC(C)(C)O2
InChIInChI=1S/C10H19NO2/c1-8-10(4-5-12-8)7-11-6-9(2,3)13-10/h8,11H,4-7H2,1-3H3
InChIKeyHMRDVDUJPOPXOC-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.93
Rot. Bonds

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

1,7,7-trimethyl-2,6-dioxa-9-azaspiro[4.5]decane (PubChem CID 82719467) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1,7,7-trimethyl-2,6-dioxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name1,7,7-trimethyl-2,6-dioxa-9-azaspiro[4.5]decane
PubChem CID82719467
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1,7,7-trimethyl-2,6-dioxa-9-azaspiro[4.5]decane
SMILESCC1OCCC12CNCC(C)(C)O2
InChIInChI=1S/C10H19NO2/c1-8-10(4-5-12-8)7-11-6-9(2,3)13-10/h8,11H,4-7H2,1-3H3
InChIKeyHMRDVDUJPOPXOC-UHFFFAOYSA-N
XLogP0.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-2,6-dioxa-9-azaspiro[4.5]decane?
The IUPAC name of 1,7,7-trimethyl-2,6-dioxa-9-azaspiro[4.5]decane (CID 82719467) is 1,7,7-trimethyl-2,6-dioxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 1,7,7-trimethyl-2,6-dioxa-9-azaspiro[4.5]decane?
The canonical SMILES for 1,7,7-trimethyl-2,6-dioxa-9-azaspiro[4.5]decane is CC1OCCC12CNCC(C)(C)O2.
What is the InChIKey of 1,7,7-trimethyl-2,6-dioxa-9-azaspiro[4.5]decane?
The InChIKey is HMRDVDUJPOPXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8-10(4-5-12-8)7-11-6-9(2,3)13-10/h8,11H,4-7H2,1-3H3.
What are the key properties of 1,7,7-trimethyl-2,6-dioxa-9-azaspiro[4.5]decane?
1,7,7-trimethyl-2,6-dioxa-9-azaspiro[4.5]decane has a molecular weight of 185.27 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-2,6-dioxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 82719467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).