2,7,7-trimethyl-6,8-dioxa-2-azaspiro[3.5]nonane

C9H17NO2 — CID 129299123

IUPAC2,7,7-trimethyl-6,8-dioxa-2-azaspiro[3.5]nonane
SMILESCN1CC2(COC(C)(C)OC2)C1
InChIInChI=1S/C9H17NO2/c1-8(2)11-6-9(7-12-8)4-10(3)5-9/h4-7H2,1-3H3
InChIKeyMTQPJEDZGDUEMC-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.70
Rot. Bonds

About 2,7,7-trimethyl-6,8-dioxa-2-azaspiro[3.5]nonane

2,7,7-trimethyl-6,8-dioxa-2-azaspiro[3.5]nonane (PubChem CID 129299123) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2,7,7-trimethyl-6,8-dioxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2,7,7-trimethyl-6,8-dioxa-2-azaspiro[3.5]nonane
PubChem CID129299123
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2,7,7-trimethyl-6,8-dioxa-2-azaspiro[3.5]nonane
SMILESCN1CC2(COC(C)(C)OC2)C1
InChIInChI=1S/C9H17NO2/c1-8(2)11-6-9(7-12-8)4-10(3)5-9/h4-7H2,1-3H3
InChIKeyMTQPJEDZGDUEMC-UHFFFAOYSA-N
XLogP0.70
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,7,7-trimethyl-6,8-dioxa-2-azaspiro[3.5]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,7,7-trimethyl-6,8-dioxa-2-azaspiro[3.5]nonane?
The IUPAC name of 2,7,7-trimethyl-6,8-dioxa-2-azaspiro[3.5]nonane (CID 129299123) is 2,7,7-trimethyl-6,8-dioxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2,7,7-trimethyl-6,8-dioxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 2,7,7-trimethyl-6,8-dioxa-2-azaspiro[3.5]nonane is CN1CC2(COC(C)(C)OC2)C1.
What is the InChIKey of 2,7,7-trimethyl-6,8-dioxa-2-azaspiro[3.5]nonane?
The InChIKey is MTQPJEDZGDUEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(2)11-6-9(7-12-8)4-10(3)5-9/h4-7H2,1-3H3.
What are the key properties of 2,7,7-trimethyl-6,8-dioxa-2-azaspiro[3.5]nonane?
2,7,7-trimethyl-6,8-dioxa-2-azaspiro[3.5]nonane has a molecular weight of 171.24 g/mol, XLogP of 0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,7-trimethyl-6,8-dioxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 129299123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).