1-[8-(2,2-dimethylpropoxy)octyl]pyrrolidine

C17H35NO — CID 58341606

IUPAC1-[8-(2,2-dimethylpropoxy)octyl]pyrrolidine
SMILESCC(C)(C)COCCCCCCCCN1CCCC1
InChIInChI=1S/C17H35NO/c1-17(2,3)16-19-15-11-7-5-4-6-8-12-18-13-9-10-14-18/h4-16H2,1-3H3
InChIKeyXHLJQJBXRAKHDK-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.49
Rot. Bonds10

About 1-[8-(2,2-dimethylpropoxy)octyl]pyrrolidine

1-[8-(2,2-dimethylpropoxy)octyl]pyrrolidine (PubChem CID 58341606) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 1-[8-(2,2-dimethylpropoxy)octyl]pyrrolidine.

Molecular Properties

Compound Name1-[8-(2,2-dimethylpropoxy)octyl]pyrrolidine
PubChem CID58341606
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name1-[8-(2,2-dimethylpropoxy)octyl]pyrrolidine
SMILESCC(C)(C)COCCCCCCCCN1CCCC1
InChIInChI=1S/C17H35NO/c1-17(2,3)16-19-15-11-7-5-4-6-8-12-18-13-9-10-14-18/h4-16H2,1-3H3
InChIKeyXHLJQJBXRAKHDK-UHFFFAOYSA-N
XLogP4.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.49
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 1-[8-(2,2-dimethylpropoxy)octyl]pyrrolidine?
The IUPAC name of 1-[8-(2,2-dimethylpropoxy)octyl]pyrrolidine (CID 58341606) is 1-[8-(2,2-dimethylpropoxy)octyl]pyrrolidine.
What is the SMILES notation for 1-[8-(2,2-dimethylpropoxy)octyl]pyrrolidine?
The canonical SMILES for 1-[8-(2,2-dimethylpropoxy)octyl]pyrrolidine is CC(C)(C)COCCCCCCCCN1CCCC1.
What is the InChIKey of 1-[8-(2,2-dimethylpropoxy)octyl]pyrrolidine?
The InChIKey is XHLJQJBXRAKHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-17(2,3)16-19-15-11-7-5-4-6-8-12-18-13-9-10-14-18/h4-16H2,1-3H3.
What are the key properties of 1-[8-(2,2-dimethylpropoxy)octyl]pyrrolidine?
1-[8-(2,2-dimethylpropoxy)octyl]pyrrolidine has a molecular weight of 269.47 g/mol, XLogP of 4.49, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(2,2-dimethylpropoxy)octyl]pyrrolidine is sourced from PubChem (CID 58341606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).