5-(2,2-dimethylpropyl)-1-(2-methoxyethyl)pyrrolidin-3-ol

C12H25NO2 — CID 58530662

IUPAC5-(2,2-dimethylpropyl)-1-(2-methoxyethyl)pyrrolidin-3-ol
SMILESCOCCN1CC(O)CC1CC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-12(2,3)8-10-7-11(14)9-13(10)5-6-15-4/h10-11,14H,5-9H2,1-4H3
InChIKeyUMQJFEGCXGMMPC-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.50
Rot. Bonds4

About 5-(2,2-dimethylpropyl)-1-(2-methoxyethyl)pyrrolidin-3-ol

5-(2,2-dimethylpropyl)-1-(2-methoxyethyl)pyrrolidin-3-ol (PubChem CID 58530662) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-1-(2-methoxyethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-1-(2-methoxyethyl)pyrrolidin-3-ol
PubChem CID58530662
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name5-(2,2-dimethylpropyl)-1-(2-methoxyethyl)pyrrolidin-3-ol
SMILESCOCCN1CC(O)CC1CC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-12(2,3)8-10-7-11(14)9-13(10)5-6-15-4/h10-11,14H,5-9H2,1-4H3
InChIKeyUMQJFEGCXGMMPC-UHFFFAOYSA-N
XLogP1.50
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-1-(2-methoxyethyl)pyrrolidin-3-ol?
The IUPAC name of 5-(2,2-dimethylpropyl)-1-(2-methoxyethyl)pyrrolidin-3-ol (CID 58530662) is 5-(2,2-dimethylpropyl)-1-(2-methoxyethyl)pyrrolidin-3-ol.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-1-(2-methoxyethyl)pyrrolidin-3-ol?
The canonical SMILES for 5-(2,2-dimethylpropyl)-1-(2-methoxyethyl)pyrrolidin-3-ol is COCCN1CC(O)CC1CC(C)(C)C.
What is the InChIKey of 5-(2,2-dimethylpropyl)-1-(2-methoxyethyl)pyrrolidin-3-ol?
The InChIKey is UMQJFEGCXGMMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-12(2,3)8-10-7-11(14)9-13(10)5-6-15-4/h10-11,14H,5-9H2,1-4H3.
What are the key properties of 5-(2,2-dimethylpropyl)-1-(2-methoxyethyl)pyrrolidin-3-ol?
5-(2,2-dimethylpropyl)-1-(2-methoxyethyl)pyrrolidin-3-ol has a molecular weight of 215.34 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-1-(2-methoxyethyl)pyrrolidin-3-ol is sourced from PubChem (CID 58530662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).