7-(2-ethoxyethyl)-2-(3-methylbutan-2-yloxy)-7-azaspiro[3.5]nonane

C17H33NO2 — CID 167292429

IUPAC7-(2-ethoxyethyl)-2-(3-methylbutan-2-yloxy)-7-azaspiro[3.5]nonane
SMILESCCOCCN1CCC2(CC1)CC(OC(C)C(C)C)C2
InChIInChI=1S/C17H33NO2/c1-5-19-11-10-18-8-6-17(7-9-18)12-16(13-17)20-15(4)14(2)3/h14-16H,5-13H2,1-4H3
InChIKeyNRZOFJXZLVGQEE-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.33
Rot. Bonds7

About 7-(2-ethoxyethyl)-2-(3-methylbutan-2-yloxy)-7-azaspiro[3.5]nonane

7-(2-ethoxyethyl)-2-(3-methylbutan-2-yloxy)-7-azaspiro[3.5]nonane (PubChem CID 167292429) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 7-(2-ethoxyethyl)-2-(3-methylbutan-2-yloxy)-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-(2-ethoxyethyl)-2-(3-methylbutan-2-yloxy)-7-azaspiro[3.5]nonane
PubChem CID167292429
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name7-(2-ethoxyethyl)-2-(3-methylbutan-2-yloxy)-7-azaspiro[3.5]nonane
SMILESCCOCCN1CCC2(CC1)CC(OC(C)C(C)C)C2
InChIInChI=1S/C17H33NO2/c1-5-19-11-10-18-8-6-17(7-9-18)12-16(13-17)20-15(4)14(2)3/h14-16H,5-13H2,1-4H3
InChIKeyNRZOFJXZLVGQEE-UHFFFAOYSA-N
XLogP3.33
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.33
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

1-(2-ethoxyethyl)-4,4-dimethylpiperidine
CID 142902694
7-(5-methylhexyl)-2-(4-methylpentoxy)-7-azaspiro[3.5]nonane
CID 167418222
7-(2-methylpropyl)-2-propan-2-yloxy-7-azaspiro[3.5]nonane
CID 155751089
1-[1-(2-ethoxyethyl)-4-hydroxypiperidin-4-yl]ethanone
CID 122212870
2-(3-ethoxypropyl)-7-(2-methylpropyl)-7-azaspiro[3.5]nonane
CID 170042273
2-(2-ethoxyethyl)-7-pentan-2-yloxy-2-azaspiro[3.5]nonane
CID 167291895
1-[3-[2-(2-ethoxyethoxy)ethyl]-3-azaspiro[5.5]undecan-9-yl]ethanone
CID 169159063
2-ethoxy-7-[(1-propylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane;7-[(1-ethylpiperidin-4-yl)methyl]-2-propan-2-yloxy-7-azaspiro[3.5]nonane
CID 166466663
1-(2-ethoxyethyl)-4-methylpiperidine-4-carbonitrile
CID 103993940
2-ethyl-7-(2-methoxyethyl)-7-azaspiro[3.5]nonane
CID 177319164
7-(2-methoxyethyl)-2-methyl-7-azaspiro[3.5]nonane;propane
CID 177319194
2-tert-butyl-7-(2-ethoxyethyl)-2,7-diazaspiro[3.4]octane
CID 166567281

Frequently Asked Questions

What is the IUPAC name of 7-(2-ethoxyethyl)-2-(3-methylbutan-2-yloxy)-7-azaspiro[3.5]nonane?
The IUPAC name of 7-(2-ethoxyethyl)-2-(3-methylbutan-2-yloxy)-7-azaspiro[3.5]nonane (CID 167292429) is 7-(2-ethoxyethyl)-2-(3-methylbutan-2-yloxy)-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-(2-ethoxyethyl)-2-(3-methylbutan-2-yloxy)-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-(2-ethoxyethyl)-2-(3-methylbutan-2-yloxy)-7-azaspiro[3.5]nonane is CCOCCN1CCC2(CC1)CC(OC(C)C(C)C)C2.
What is the InChIKey of 7-(2-ethoxyethyl)-2-(3-methylbutan-2-yloxy)-7-azaspiro[3.5]nonane?
The InChIKey is NRZOFJXZLVGQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-5-19-11-10-18-8-6-17(7-9-18)12-16(13-17)20-15(4)14(2)3/h14-16H,5-13H2,1-4H3.
What are the key properties of 7-(2-ethoxyethyl)-2-(3-methylbutan-2-yloxy)-7-azaspiro[3.5]nonane?
7-(2-ethoxyethyl)-2-(3-methylbutan-2-yloxy)-7-azaspiro[3.5]nonane has a molecular weight of 283.46 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethoxyethyl)-2-(3-methylbutan-2-yloxy)-7-azaspiro[3.5]nonane is sourced from PubChem (CID 167292429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).