2-methoxy-7-(oxetan-3-yl)-7-azaspiro[3.5]nonane

C12H21NO2 — CID 156546248

IUPAC2-methoxy-7-(oxetan-3-yl)-7-azaspiro[3.5]nonane
SMILESCOC1CC2(CCN(C3COC3)CC2)C1
InChIInChI=1S/C12H21NO2/c1-14-11-6-12(7-11)2-4-13(5-3-12)10-8-15-9-10/h10-11H,2-9H2,1H3
InChIKeyNTMOFFUMPDECCW-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.28
Rot. Bonds2

About 2-methoxy-7-(oxetan-3-yl)-7-azaspiro[3.5]nonane

2-methoxy-7-(oxetan-3-yl)-7-azaspiro[3.5]nonane (PubChem CID 156546248) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-methoxy-7-(oxetan-3-yl)-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-methoxy-7-(oxetan-3-yl)-7-azaspiro[3.5]nonane
PubChem CID156546248
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-methoxy-7-(oxetan-3-yl)-7-azaspiro[3.5]nonane
SMILESCOC1CC2(CCN(C3COC3)CC2)C1
InChIInChI=1S/C12H21NO2/c1-14-11-6-12(7-11)2-4-13(5-3-12)10-8-15-9-10/h10-11H,2-9H2,1H3
InChIKeyNTMOFFUMPDECCW-UHFFFAOYSA-N
XLogP1.28
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-7-(oxetan-3-yl)-7-azaspiro[3.5]nonane?
The IUPAC name of 2-methoxy-7-(oxetan-3-yl)-7-azaspiro[3.5]nonane (CID 156546248) is 2-methoxy-7-(oxetan-3-yl)-7-azaspiro[3.5]nonane.
What is the SMILES notation for 2-methoxy-7-(oxetan-3-yl)-7-azaspiro[3.5]nonane?
The canonical SMILES for 2-methoxy-7-(oxetan-3-yl)-7-azaspiro[3.5]nonane is COC1CC2(CCN(C3COC3)CC2)C1.
What is the InChIKey of 2-methoxy-7-(oxetan-3-yl)-7-azaspiro[3.5]nonane?
The InChIKey is NTMOFFUMPDECCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-14-11-6-12(7-11)2-4-13(5-3-12)10-8-15-9-10/h10-11H,2-9H2,1H3.
What are the key properties of 2-methoxy-7-(oxetan-3-yl)-7-azaspiro[3.5]nonane?
2-methoxy-7-(oxetan-3-yl)-7-azaspiro[3.5]nonane has a molecular weight of 211.30 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-7-(oxetan-3-yl)-7-azaspiro[3.5]nonane is sourced from PubChem (CID 156546248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).