2-[1-(2-ethylbutyl)pyrrolidin-3-yl]ethanol

C12H25NO — CID 115875415

IUPAC2-[1-(2-ethylbutyl)pyrrolidin-3-yl]ethanol
SMILESCCC(CC)CN1CCC(CCO)C1
InChIInChI=1S/C12H25NO/c1-3-11(4-2)9-13-7-5-12(10-13)6-8-14/h11-12,14H,3-10H2,1-2H3
InChIKeyIIXZLEBBJRSDEA-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.13
Rot. Bonds6

About 2-[1-(2-ethylbutyl)pyrrolidin-3-yl]ethanol

2-[1-(2-ethylbutyl)pyrrolidin-3-yl]ethanol (PubChem CID 115875415) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-[1-(2-ethylbutyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-ethylbutyl)pyrrolidin-3-yl]ethanol
PubChem CID115875415
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-[1-(2-ethylbutyl)pyrrolidin-3-yl]ethanol
SMILESCCC(CC)CN1CCC(CCO)C1
InChIInChI=1S/C12H25NO/c1-3-11(4-2)9-13-7-5-12(10-13)6-8-14/h11-12,14H,3-10H2,1-2H3
InChIKeyIIXZLEBBJRSDEA-UHFFFAOYSA-N
XLogP2.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-(2-ethylbutyl)pyrrolidin-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

Related Compounds

2-[1-(2-ethylhexyl)pyrrolidin-3-yl]ethanol
CID 104627914
2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanol
CID 83981105
2-[1-(2-ethylhexyl)piperidin-3-yl]ethanol
CID 55064618
[1-(2-ethylbutyl)piperidin-3-yl]methanol
CID 82931010
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanoic acid
CID 114798284
2-[1-[3-methyl-2-(sulfanylmethyl)butyl]pyrrolidin-3-yl]ethanol
CID 114802743
ethyl 3-hydroxy-4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]butanoate
CID 114798276
2-amino-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 114798245
3-[(3-propylazetidin-1-yl)methyl]pentan-1-ol
CID 104550573
2-(1-hexylpyrrolidin-3-yl)ethanol
CID 115648154
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanehydrazide
CID 114801954
2-[1-(2-cyclopropylethyl)pyrrolidin-3-yl]ethanol
CID 115665613

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethylbutyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(2-ethylbutyl)pyrrolidin-3-yl]ethanol (CID 115875415) is 2-[1-(2-ethylbutyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(2-ethylbutyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(2-ethylbutyl)pyrrolidin-3-yl]ethanol is CCC(CC)CN1CCC(CCO)C1.
What is the InChIKey of 2-[1-(2-ethylbutyl)pyrrolidin-3-yl]ethanol?
The InChIKey is IIXZLEBBJRSDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-11(4-2)9-13-7-5-12(10-13)6-8-14/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 2-[1-(2-ethylbutyl)pyrrolidin-3-yl]ethanol?
2-[1-(2-ethylbutyl)pyrrolidin-3-yl]ethanol has a molecular weight of 199.34 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethylbutyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115875415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).