8-(2-methylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane

C11H21NO2 — CID 18732335

IUPAC8-(2-methylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCC(C)CN1CCC2(CC1)OCCO2
InChIInChI=1S/C11H21NO2/c1-10(2)9-12-5-3-11(4-6-12)13-7-8-14-11/h10H,3-9H2,1-2H3
InChIKeyWJUUXYYJLNANPC-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.48
Rot. Bonds2

About 8-(2-methylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(2-methylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 18732335) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 8-(2-methylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2-methylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID18732335
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name8-(2-methylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCC(C)CN1CCC2(CC1)OCCO2
InChIInChI=1S/C11H21NO2/c1-10(2)9-12-5-3-11(4-6-12)13-7-8-14-11/h10H,3-9H2,1-2H3
InChIKeyWJUUXYYJLNANPC-UHFFFAOYSA-N
XLogP1.48
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-(2-methylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane 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 8-(2-methylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(2-methylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 18732335) is 8-(2-methylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(2-methylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(2-methylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane is CC(C)CN1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(2-methylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is WJUUXYYJLNANPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10(2)9-12-5-3-11(4-6-12)13-7-8-14-11/h10H,3-9H2,1-2H3.
What are the key properties of 8-(2-methylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(2-methylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 199.29 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 18732335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).