2-(3-ethoxypropyl)-7-(2-methylpropyl)-7-azaspiro[3.5]nonane

C17H33NO — CID 170042273

IUPAC2-(3-ethoxypropyl)-7-(2-methylpropyl)-7-azaspiro[3.5]nonane
SMILESCCOCCCC1CC2(CCN(CC(C)C)CC2)C1
InChIInChI=1S/C17H33NO/c1-4-19-11-5-6-16-12-17(13-16)7-9-18(10-8-17)14-15(2)3/h15-16H,4-14H2,1-3H3
InChIKeyBEGVXAOFQRXBPE-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.95
Rot. Bonds7

About 2-(3-ethoxypropyl)-7-(2-methylpropyl)-7-azaspiro[3.5]nonane

2-(3-ethoxypropyl)-7-(2-methylpropyl)-7-azaspiro[3.5]nonane (PubChem CID 170042273) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-(3-ethoxypropyl)-7-(2-methylpropyl)-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(3-ethoxypropyl)-7-(2-methylpropyl)-7-azaspiro[3.5]nonane
PubChem CID170042273
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name2-(3-ethoxypropyl)-7-(2-methylpropyl)-7-azaspiro[3.5]nonane
SMILESCCOCCCC1CC2(CCN(CC(C)C)CC2)C1
InChIInChI=1S/C17H33NO/c1-4-19-11-5-6-16-12-17(13-16)7-9-18(10-8-17)14-15(2)3/h15-16H,4-14H2,1-3H3
InChIKeyBEGVXAOFQRXBPE-UHFFFAOYSA-N
XLogP3.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(3-ethoxypropyl)-7-(2-methylpropyl)-7-azaspiro[3.5]nonane?
The IUPAC name of 2-(3-ethoxypropyl)-7-(2-methylpropyl)-7-azaspiro[3.5]nonane (CID 170042273) is 2-(3-ethoxypropyl)-7-(2-methylpropyl)-7-azaspiro[3.5]nonane.
What is the SMILES notation for 2-(3-ethoxypropyl)-7-(2-methylpropyl)-7-azaspiro[3.5]nonane?
The canonical SMILES for 2-(3-ethoxypropyl)-7-(2-methylpropyl)-7-azaspiro[3.5]nonane is CCOCCCC1CC2(CCN(CC(C)C)CC2)C1.
What is the InChIKey of 2-(3-ethoxypropyl)-7-(2-methylpropyl)-7-azaspiro[3.5]nonane?
The InChIKey is BEGVXAOFQRXBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-4-19-11-5-6-16-12-17(13-16)7-9-18(10-8-17)14-15(2)3/h15-16H,4-14H2,1-3H3.
What are the key properties of 2-(3-ethoxypropyl)-7-(2-methylpropyl)-7-azaspiro[3.5]nonane?
2-(3-ethoxypropyl)-7-(2-methylpropyl)-7-azaspiro[3.5]nonane has a molecular weight of 267.46 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropyl)-7-(2-methylpropyl)-7-azaspiro[3.5]nonane is sourced from PubChem (CID 170042273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).