3-(2,2-dimethylpropyl)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine

C13H27NO — CID 58676590

IUPAC3-(2,2-dimethylpropyl)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine
SMILESCC(C)(C)CC1CC(C)(C)N(O)C1(C)C
InChIInChI=1S/C13H27NO/c1-11(2,3)8-10-9-12(4,5)14(15)13(10,6)7/h10,15H,8-9H2,1-7H3
InChIKeyBCBUWFYWKLVBLD-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.69
Rot. Bonds1

About 3-(2,2-dimethylpropyl)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine

3-(2,2-dimethylpropyl)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine (PubChem CID 58676590) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine
PubChem CID58676590
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-(2,2-dimethylpropyl)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine
SMILESCC(C)(C)CC1CC(C)(C)N(O)C1(C)C
InChIInChI=1S/C13H27NO/c1-11(2,3)8-10-9-12(4,5)14(15)13(10,6)7/h10,15H,8-9H2,1-7H3
InChIKeyBCBUWFYWKLVBLD-UHFFFAOYSA-N
XLogP3.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine?
The IUPAC name of 3-(2,2-dimethylpropyl)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine (CID 58676590) is 3-(2,2-dimethylpropyl)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine?
The canonical SMILES for 3-(2,2-dimethylpropyl)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine is CC(C)(C)CC1CC(C)(C)N(O)C1(C)C.
What is the InChIKey of 3-(2,2-dimethylpropyl)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine?
The InChIKey is BCBUWFYWKLVBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11(2,3)8-10-9-12(4,5)14(15)13(10,6)7/h10,15H,8-9H2,1-7H3.
What are the key properties of 3-(2,2-dimethylpropyl)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine?
3-(2,2-dimethylpropyl)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine has a molecular weight of 213.36 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine is sourced from PubChem (CID 58676590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).