2-(2-ethoxyethyl)-7-pentan-2-yloxy-2-azaspiro[3.5]nonane

C17H33NO2 — CID 167291895

IUPAC2-(2-ethoxyethyl)-7-pentan-2-yloxy-2-azaspiro[3.5]nonane
SMILESCCCC(C)OC1CCC2(CC1)CN(CCOCC)C2
InChIInChI=1S/C17H33NO2/c1-4-6-15(3)20-16-7-9-17(10-8-16)13-18(14-17)11-12-19-5-2/h15-16H,4-14H2,1-3H3
InChIKeyKZMKKHFFBUQJKH-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.47
Rot. Bonds8

About 2-(2-ethoxyethyl)-7-pentan-2-yloxy-2-azaspiro[3.5]nonane

2-(2-ethoxyethyl)-7-pentan-2-yloxy-2-azaspiro[3.5]nonane (PubChem CID 167291895) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-7-pentan-2-yloxy-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-7-pentan-2-yloxy-2-azaspiro[3.5]nonane
PubChem CID167291895
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name2-(2-ethoxyethyl)-7-pentan-2-yloxy-2-azaspiro[3.5]nonane
SMILESCCCC(C)OC1CCC2(CC1)CN(CCOCC)C2
InChIInChI=1S/C17H33NO2/c1-4-6-15(3)20-16-7-9-17(10-8-16)13-18(14-17)11-12-19-5-2/h15-16H,4-14H2,1-3H3
InChIKeyKZMKKHFFBUQJKH-UHFFFAOYSA-N
XLogP3.47
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxyethyl)-2-azaspiro[3.5]nonan-7-ol
CID 156546413
2-(2-methoxyethyl)-7-propan-2-yloxy-2-azaspiro[3.5]nonane
CID 156546228
2-ethyl-7-propan-2-yloxy-2-azaspiro[3.5]nonane
CID 166847174
7-(2-ethoxyethyl)-2-(3-methylbutan-2-yloxy)-7-azaspiro[3.5]nonane
CID 167292429
1-(2-ethoxyethyl)-4,4-dimethylpiperidine
CID 142902694
1-[1-(2-ethoxyethyl)piperidin-4-yl]-N-methylethanamine
CID 63852723
2-tert-butyl-7-(2-ethoxyethyl)-2,7-diazaspiro[3.4]octane
CID 166567281
1-heptan-2-yloxy-4-methylcyclohexane
CID 71132789
[(3S)-1-(2-ethoxyethyl)pyrrolidin-3-yl]methanol
CID 129367814
1-(2-ethoxyethyl)-3-fluoropiperidine
CID 177032761
1-(3-ethoxypropyl)-3-methylpyrrolidin-3-ol
CID 103728740
1-(2-ethoxyethyl)-3-[(2-methylpropan-2-yl)oxy]azetidine
CID 166567381

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)-7-pentan-2-yloxy-2-azaspiro[3.5]nonane?
The IUPAC name of 2-(2-ethoxyethyl)-7-pentan-2-yloxy-2-azaspiro[3.5]nonane (CID 167291895) is 2-(2-ethoxyethyl)-7-pentan-2-yloxy-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-(2-ethoxyethyl)-7-pentan-2-yloxy-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-(2-ethoxyethyl)-7-pentan-2-yloxy-2-azaspiro[3.5]nonane is CCCC(C)OC1CCC2(CC1)CN(CCOCC)C2.
What is the InChIKey of 2-(2-ethoxyethyl)-7-pentan-2-yloxy-2-azaspiro[3.5]nonane?
The InChIKey is KZMKKHFFBUQJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-4-6-15(3)20-16-7-9-17(10-8-16)13-18(14-17)11-12-19-5-2/h15-16H,4-14H2,1-3H3.
What are the key properties of 2-(2-ethoxyethyl)-7-pentan-2-yloxy-2-azaspiro[3.5]nonane?
2-(2-ethoxyethyl)-7-pentan-2-yloxy-2-azaspiro[3.5]nonane has a molecular weight of 283.46 g/mol, XLogP of 3.47, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-7-pentan-2-yloxy-2-azaspiro[3.5]nonane is sourced from PubChem (CID 167291895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).