1-tert-butyl-2,2,5,5-tetramethylpyrrolidin-3-ol

C12H25NO — CID 155933674

IUPAC1-tert-butyl-2,2,5,5-tetramethylpyrrolidin-3-ol
SMILESCC(C)(C)N1C(C)(C)CC(O)C1(C)C
InChIInChI=1S/C12H25NO/c1-10(2,3)13-11(4,5)8-9(14)12(13,6)7/h9,14H,8H2,1-7H3
InChIKeyNQZAJLPHBNMXIB-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.41
Rot. Bonds

About 1-tert-butyl-2,2,5,5-tetramethylpyrrolidin-3-ol

1-tert-butyl-2,2,5,5-tetramethylpyrrolidin-3-ol (PubChem CID 155933674) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-tert-butyl-2,2,5,5-tetramethylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-tert-butyl-2,2,5,5-tetramethylpyrrolidin-3-ol
PubChem CID155933674
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-tert-butyl-2,2,5,5-tetramethylpyrrolidin-3-ol
SMILESCC(C)(C)N1C(C)(C)CC(O)C1(C)C
InChIInChI=1S/C12H25NO/c1-10(2,3)13-11(4,5)8-9(14)12(13,6)7/h9,14H,8H2,1-7H3
InChIKeyNQZAJLPHBNMXIB-UHFFFAOYSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-tert-butyl-2,2,5,5-tetramethylpyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,2,5,5-tetramethylpyrrolidin-3-ol?
The IUPAC name of 1-tert-butyl-2,2,5,5-tetramethylpyrrolidin-3-ol (CID 155933674) is 1-tert-butyl-2,2,5,5-tetramethylpyrrolidin-3-ol.
What is the SMILES notation for 1-tert-butyl-2,2,5,5-tetramethylpyrrolidin-3-ol?
The canonical SMILES for 1-tert-butyl-2,2,5,5-tetramethylpyrrolidin-3-ol is CC(C)(C)N1C(C)(C)CC(O)C1(C)C.
What is the InChIKey of 1-tert-butyl-2,2,5,5-tetramethylpyrrolidin-3-ol?
The InChIKey is NQZAJLPHBNMXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(2,3)13-11(4,5)8-9(14)12(13,6)7/h9,14H,8H2,1-7H3.
What are the key properties of 1-tert-butyl-2,2,5,5-tetramethylpyrrolidin-3-ol?
1-tert-butyl-2,2,5,5-tetramethylpyrrolidin-3-ol has a molecular weight of 199.34 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,2,5,5-tetramethylpyrrolidin-3-ol is sourced from PubChem (CID 155933674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).