2-(1-butan-2-yl-5,5-dimethylpyrrolidin-3-yl)ethanol

C12H25NO — CID 117018507

IUPAC2-(1-butan-2-yl-5,5-dimethylpyrrolidin-3-yl)ethanol
SMILESCCC(C)N1CC(CCO)CC1(C)C
InChIInChI=1S/C12H25NO/c1-5-10(2)13-9-11(6-7-14)8-12(13,3)4/h10-11,14H,5-9H2,1-4H3
InChIKeyRXTLKJMCGPBSMC-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.27
Rot. Bonds4

About 2-(1-butan-2-yl-5,5-dimethylpyrrolidin-3-yl)ethanol

2-(1-butan-2-yl-5,5-dimethylpyrrolidin-3-yl)ethanol (PubChem CID 117018507) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-(1-butan-2-yl-5,5-dimethylpyrrolidin-3-yl)ethanol.

Molecular Properties

Compound Name2-(1-butan-2-yl-5,5-dimethylpyrrolidin-3-yl)ethanol
PubChem CID117018507
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-(1-butan-2-yl-5,5-dimethylpyrrolidin-3-yl)ethanol
SMILESCCC(C)N1CC(CCO)CC1(C)C
InChIInChI=1S/C12H25NO/c1-5-10(2)13-9-11(6-7-14)8-12(13,3)4/h10-11,14H,5-9H2,1-4H3
InChIKeyRXTLKJMCGPBSMC-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1-butan-2-yl-5,5-dimethylpyrrolidin-3-yl)ethanol 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 2-(1-butan-2-yl-5,5-dimethylpyrrolidin-3-yl)ethanol?
The IUPAC name of 2-(1-butan-2-yl-5,5-dimethylpyrrolidin-3-yl)ethanol (CID 117018507) is 2-(1-butan-2-yl-5,5-dimethylpyrrolidin-3-yl)ethanol.
What is the SMILES notation for 2-(1-butan-2-yl-5,5-dimethylpyrrolidin-3-yl)ethanol?
The canonical SMILES for 2-(1-butan-2-yl-5,5-dimethylpyrrolidin-3-yl)ethanol is CCC(C)N1CC(CCO)CC1(C)C.
What is the InChIKey of 2-(1-butan-2-yl-5,5-dimethylpyrrolidin-3-yl)ethanol?
The InChIKey is RXTLKJMCGPBSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-10(2)13-9-11(6-7-14)8-12(13,3)4/h10-11,14H,5-9H2,1-4H3.
What are the key properties of 2-(1-butan-2-yl-5,5-dimethylpyrrolidin-3-yl)ethanol?
2-(1-butan-2-yl-5,5-dimethylpyrrolidin-3-yl)ethanol has a molecular weight of 199.34 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-yl-5,5-dimethylpyrrolidin-3-yl)ethanol is sourced from PubChem (CID 117018507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).