2-(2-ethoxyethyl)-2-azaspiro[3.5]nonan-7-ol

C12H23NO2 — CID 156546413

IUPAC2-(2-ethoxyethyl)-2-azaspiro[3.5]nonan-7-ol
SMILESCCOCCN1CC2(CCC(O)CC2)C1
InChIInChI=1S/C12H23NO2/c1-2-15-8-7-13-9-12(10-13)5-3-11(14)4-6-12/h11,14H,2-10H2,1H3
InChIKeyQFFFAFDELCBQFB-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.26
Rot. Bonds4

About 2-(2-ethoxyethyl)-2-azaspiro[3.5]nonan-7-ol

2-(2-ethoxyethyl)-2-azaspiro[3.5]nonan-7-ol (PubChem CID 156546413) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-2-azaspiro[3.5]nonan-7-ol.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-2-azaspiro[3.5]nonan-7-ol
PubChem CID156546413
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-(2-ethoxyethyl)-2-azaspiro[3.5]nonan-7-ol
SMILESCCOCCN1CC2(CCC(O)CC2)C1
InChIInChI=1S/C12H23NO2/c1-2-15-8-7-13-9-12(10-13)5-3-11(14)4-6-12/h11,14H,2-10H2,1H3
InChIKeyQFFFAFDELCBQFB-UHFFFAOYSA-N
XLogP1.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)-2-azaspiro[3.5]nonan-7-ol?
The IUPAC name of 2-(2-ethoxyethyl)-2-azaspiro[3.5]nonan-7-ol (CID 156546413) is 2-(2-ethoxyethyl)-2-azaspiro[3.5]nonan-7-ol.
What is the SMILES notation for 2-(2-ethoxyethyl)-2-azaspiro[3.5]nonan-7-ol?
The canonical SMILES for 2-(2-ethoxyethyl)-2-azaspiro[3.5]nonan-7-ol is CCOCCN1CC2(CCC(O)CC2)C1.
What is the InChIKey of 2-(2-ethoxyethyl)-2-azaspiro[3.5]nonan-7-ol?
The InChIKey is QFFFAFDELCBQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-2-15-8-7-13-9-12(10-13)5-3-11(14)4-6-12/h11,14H,2-10H2,1H3.
What are the key properties of 2-(2-ethoxyethyl)-2-azaspiro[3.5]nonan-7-ol?
2-(2-ethoxyethyl)-2-azaspiro[3.5]nonan-7-ol has a molecular weight of 213.32 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-2-azaspiro[3.5]nonan-7-ol is sourced from PubChem (CID 156546413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).