6-methyl-2-oxa-6-azaspiro[3.3]heptane;6-oxa-1-azaspiro[3.3]heptane

C11H20N2O2 — CID 144581863

IUPAC6-methyl-2-oxa-6-azaspiro[3.3]heptane;6-oxa-1-azaspiro[3.3]heptane
SMILESC1CC2(COC2)N1.CN1CC2(COC2)C1
InChIInChI=1S/C6H11NO.C5H9NO/c1-7-2-6(3-7)4-8-5-6;1-2-6-5(1)3-7-4-5/h2-5H2,1H3;6H,1-4H2
InChIKeyHTRHVEQZNHIFIG-UHFFFAOYSA-N
MW212.29 g/mol
LogP-0.30
Rot. Bonds

About 6-methyl-2-oxa-6-azaspiro[3.3]heptane;6-oxa-1-azaspiro[3.3]heptane

6-methyl-2-oxa-6-azaspiro[3.3]heptane;6-oxa-1-azaspiro[3.3]heptane (PubChem CID 144581863) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 6-methyl-2-oxa-6-azaspiro[3.3]heptane;6-oxa-1-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-methyl-2-oxa-6-azaspiro[3.3]heptane;6-oxa-1-azaspiro[3.3]heptane
PubChem CID144581863
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name6-methyl-2-oxa-6-azaspiro[3.3]heptane;6-oxa-1-azaspiro[3.3]heptane
SMILESC1CC2(COC2)N1.CN1CC2(COC2)C1
InChIInChI=1S/C6H11NO.C5H9NO/c1-7-2-6(3-7)4-8-5-6;1-2-6-5(1)3-7-4-5/h2-5H2,1H3;6H,1-4H2
InChIKeyHTRHVEQZNHIFIG-UHFFFAOYSA-N
XLogP-0.30
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methyl-2-oxa-6-azaspiro[3.3]heptane;6-oxa-1-azaspiro[3.3]heptane 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 6-methyl-2-oxa-6-azaspiro[3.3]heptane;6-oxa-1-azaspiro[3.3]heptane?
The IUPAC name of 6-methyl-2-oxa-6-azaspiro[3.3]heptane;6-oxa-1-azaspiro[3.3]heptane (CID 144581863) is 6-methyl-2-oxa-6-azaspiro[3.3]heptane;6-oxa-1-azaspiro[3.3]heptane.
What is the SMILES notation for 6-methyl-2-oxa-6-azaspiro[3.3]heptane;6-oxa-1-azaspiro[3.3]heptane?
The canonical SMILES for 6-methyl-2-oxa-6-azaspiro[3.3]heptane;6-oxa-1-azaspiro[3.3]heptane is C1CC2(COC2)N1.CN1CC2(COC2)C1.
What is the InChIKey of 6-methyl-2-oxa-6-azaspiro[3.3]heptane;6-oxa-1-azaspiro[3.3]heptane?
The InChIKey is HTRHVEQZNHIFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C5H9NO/c1-7-2-6(3-7)4-8-5-6;1-2-6-5(1)3-7-4-5/h2-5H2,1H3;6H,1-4H2.
What are the key properties of 6-methyl-2-oxa-6-azaspiro[3.3]heptane;6-oxa-1-azaspiro[3.3]heptane?
6-methyl-2-oxa-6-azaspiro[3.3]heptane;6-oxa-1-azaspiro[3.3]heptane has a molecular weight of 212.29 g/mol, XLogP of -0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxa-6-azaspiro[3.3]heptane;6-oxa-1-azaspiro[3.3]heptane is sourced from PubChem (CID 144581863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).