3-(2,2-dimethylpropyl)-1-(2-methoxyethyl)pyrrolidine

C12H25NO — CID 58391462

IUPAC3-(2,2-dimethylpropyl)-1-(2-methoxyethyl)pyrrolidine
SMILESCOCCN1CCC(CC(C)(C)C)C1
InChIInChI=1S/C12H25NO/c1-12(2,3)9-11-5-6-13(10-11)7-8-14-4/h11H,5-10H2,1-4H3
InChIKeyJEKIEZUCTDXAIT-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.39
Rot. Bonds4

About 3-(2,2-dimethylpropyl)-1-(2-methoxyethyl)pyrrolidine

3-(2,2-dimethylpropyl)-1-(2-methoxyethyl)pyrrolidine (PubChem CID 58391462) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-1-(2-methoxyethyl)pyrrolidine.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-1-(2-methoxyethyl)pyrrolidine
PubChem CID58391462
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-(2,2-dimethylpropyl)-1-(2-methoxyethyl)pyrrolidine
SMILESCOCCN1CCC(CC(C)(C)C)C1
InChIInChI=1S/C12H25NO/c1-12(2,3)9-11-5-6-13(10-11)7-8-14-4/h11H,5-10H2,1-4H3
InChIKeyJEKIEZUCTDXAIT-UHFFFAOYSA-N
XLogP2.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-1-(2-methoxyethyl)pyrrolidine?
The IUPAC name of 3-(2,2-dimethylpropyl)-1-(2-methoxyethyl)pyrrolidine (CID 58391462) is 3-(2,2-dimethylpropyl)-1-(2-methoxyethyl)pyrrolidine.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-1-(2-methoxyethyl)pyrrolidine?
The canonical SMILES for 3-(2,2-dimethylpropyl)-1-(2-methoxyethyl)pyrrolidine is COCCN1CCC(CC(C)(C)C)C1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-1-(2-methoxyethyl)pyrrolidine?
The InChIKey is JEKIEZUCTDXAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-12(2,3)9-11-5-6-13(10-11)7-8-14-4/h11H,5-10H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpropyl)-1-(2-methoxyethyl)pyrrolidine?
3-(2,2-dimethylpropyl)-1-(2-methoxyethyl)pyrrolidine has a molecular weight of 199.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-1-(2-methoxyethyl)pyrrolidine is sourced from PubChem (CID 58391462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).