2-(1-hexylpyrrolidin-3-yl)ethanol

C12H25NO — CID 115648154

IUPAC2-(1-hexylpyrrolidin-3-yl)ethanol
SMILESCCCCCCN1CCC(CCO)C1
InChIInChI=1S/C12H25NO/c1-2-3-4-5-8-13-9-6-12(11-13)7-10-14/h12,14H,2-11H2,1H3
InChIKeyJQKQIFLQSGKLIY-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.27
Rot. Bonds7

About 2-(1-hexylpyrrolidin-3-yl)ethanol

2-(1-hexylpyrrolidin-3-yl)ethanol (PubChem CID 115648154) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-(1-hexylpyrrolidin-3-yl)ethanol.

Molecular Properties

Compound Name2-(1-hexylpyrrolidin-3-yl)ethanol
PubChem CID115648154
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-(1-hexylpyrrolidin-3-yl)ethanol
SMILESCCCCCCN1CCC(CCO)C1
InChIInChI=1S/C12H25NO/c1-2-3-4-5-8-13-9-6-12(11-13)7-10-14/h12,14H,2-11H2,1H3
InChIKeyJQKQIFLQSGKLIY-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(1-hexylpyrrolidin-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

3-butyl-1-hexylpyrrolidine
CID 171570679
1-octyl-3-propylpyrrolidine;hydrochloride
CID 175874915
3-butyl-1-dodecylpyrrolidine;hydrofluoride
CID 175874831
methanesulfonic acid;3-propyl-1-undecylpyrrolidine
CID 175583715
2-[1-(2-propoxyethyl)pyrrolidin-3-yl]ethanol
CID 106456274
4-(4-octylpiperidin-1-yl)butan-1-ol
CID 71395098
4-(4-nonylpiperidin-1-yl)butan-1-ol
CID 71395100
6-(3-ethylpyrrolidin-1-yl)hexan-1-ol
CID 103748114
4-(4-octylpiperidin-1-yl)butan-1-ol;hydrochloride
CID 71395097
5-(4-hexylpiperidin-1-yl)pentan-1-ol;hydrochloride
CID 23328916
3-butyl-1-octylpyrrolidine;trifluoromethanesulfonic acid
CID 175584167
1,3-di(tridecyl)piperidine
CID 162511834

Frequently Asked Questions

What is the IUPAC name of 2-(1-hexylpyrrolidin-3-yl)ethanol?
The IUPAC name of 2-(1-hexylpyrrolidin-3-yl)ethanol (CID 115648154) is 2-(1-hexylpyrrolidin-3-yl)ethanol.
What is the SMILES notation for 2-(1-hexylpyrrolidin-3-yl)ethanol?
The canonical SMILES for 2-(1-hexylpyrrolidin-3-yl)ethanol is CCCCCCN1CCC(CCO)C1.
What is the InChIKey of 2-(1-hexylpyrrolidin-3-yl)ethanol?
The InChIKey is JQKQIFLQSGKLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-2-3-4-5-8-13-9-6-12(11-13)7-10-14/h12,14H,2-11H2,1H3.
What are the key properties of 2-(1-hexylpyrrolidin-3-yl)ethanol?
2-(1-hexylpyrrolidin-3-yl)ethanol has a molecular weight of 199.34 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hexylpyrrolidin-3-yl)ethanol is sourced from PubChem (CID 115648154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).