2-(2,2-dimethylpropoxy)-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-7-azaspiro[3.5]nonane

C20H39NO2 — CID 140899125

IUPAC2-(2,2-dimethylpropoxy)-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-7-azaspiro[3.5]nonane
SMILESCC(C)(C)COC1CC2(CCN(CCCOC(C)(C)C)CC2)C1
InChIInChI=1S/C20H39NO2/c1-18(2,3)16-22-17-14-20(15-17)8-11-21(12-9-20)10-7-13-23-19(4,5)6/h17H,7-16H2,1-6H3
InChIKeyRUNFMGZFRSJYIM-UHFFFAOYSA-N
MW325.54 g/mol
LogP4.50
Rot. Bonds6

About 2-(2,2-dimethylpropoxy)-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-7-azaspiro[3.5]nonane

2-(2,2-dimethylpropoxy)-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-7-azaspiro[3.5]nonane (PubChem CID 140899125) has the molecular formula C20H39NO2 and a molecular weight of 325.54 g/mol. Its IUPAC name is 2-(2,2-dimethylpropoxy)-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(2,2-dimethylpropoxy)-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-7-azaspiro[3.5]nonane
PubChem CID140899125
Molecular FormulaC20H39NO2
Molecular Weight325.54 g/mol
Exact Mass325.30
IUPAC Name2-(2,2-dimethylpropoxy)-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-7-azaspiro[3.5]nonane
SMILESCC(C)(C)COC1CC2(CCN(CCCOC(C)(C)C)CC2)C1
InChIInChI=1S/C20H39NO2/c1-18(2,3)16-22-17-14-20(15-17)8-11-21(12-9-20)10-7-13-23-19(4,5)6/h17H,7-16H2,1-6H3
InChIKeyRUNFMGZFRSJYIM-UHFFFAOYSA-N
XLogP4.50
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.54
LogP ≤ 54.50
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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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropoxy)-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-7-azaspiro[3.5]nonane?
The IUPAC name of 2-(2,2-dimethylpropoxy)-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-7-azaspiro[3.5]nonane (CID 140899125) is 2-(2,2-dimethylpropoxy)-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-7-azaspiro[3.5]nonane.
What is the SMILES notation for 2-(2,2-dimethylpropoxy)-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-7-azaspiro[3.5]nonane?
The canonical SMILES for 2-(2,2-dimethylpropoxy)-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-7-azaspiro[3.5]nonane is CC(C)(C)COC1CC2(CCN(CCCOC(C)(C)C)CC2)C1.
What is the InChIKey of 2-(2,2-dimethylpropoxy)-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-7-azaspiro[3.5]nonane?
The InChIKey is RUNFMGZFRSJYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO2/c1-18(2,3)16-22-17-14-20(15-17)8-11-21(12-9-20)10-7-13-23-19(4,5)6/h17H,7-16H2,1-6H3.
What are the key properties of 2-(2,2-dimethylpropoxy)-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-7-azaspiro[3.5]nonane?
2-(2,2-dimethylpropoxy)-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-7-azaspiro[3.5]nonane has a molecular weight of 325.54 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropoxy)-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-7-azaspiro[3.5]nonane is sourced from PubChem (CID 140899125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).