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

C14H29NO — CID 104627914

IUPAC2-[1-(2-ethylhexyl)pyrrolidin-3-yl]ethanol
SMILESCCCCC(CC)CN1CCC(CCO)C1
InChIInChI=1S/C14H29NO/c1-3-5-6-13(4-2)11-15-9-7-14(12-15)8-10-16/h13-14,16H,3-12H2,1-2H3
InChIKeyJITQOZNMRFIGNG-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.91
Rot. Bonds8

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

2-[1-(2-ethylhexyl)pyrrolidin-3-yl]ethanol (PubChem CID 104627914) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-[1-(2-ethylhexyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-ethylhexyl)pyrrolidin-3-yl]ethanol
PubChem CID104627914
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-[1-(2-ethylhexyl)pyrrolidin-3-yl]ethanol
SMILESCCCCC(CC)CN1CCC(CCO)C1
InChIInChI=1S/C14H29NO/c1-3-5-6-13(4-2)11-15-9-7-14(12-15)8-10-16/h13-14,16H,3-12H2,1-2H3
InChIKeyJITQOZNMRFIGNG-UHFFFAOYSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-ethylhexyl)piperidin-3-yl]ethanol
CID 55064618
2-[1-(2-ethylbutyl)pyrrolidin-3-yl]ethanol
CID 115875415
2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanol
CID 83981105
2-(1-hexylpyrrolidin-3-yl)ethanol
CID 115648154
4-bromo-1-(2-ethylhexyl)piperidine
CID 80678889
N-ethyl-1-(2-ethylhexyl)pyrrolidin-3-amine
CID 107815392
N-[[1-(2-ethylhexyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62592756
4-(1-chloroethyl)-1-(2-ethylhexyl)piperidine
CID 106837967
1-(2-ethylhexyl)-4,6-dimethyl-1,5-diazocane
CID 107817900
1-(2-ethylhexyl)pyrrolidine-3,4-diol
CID 106672045
1-(2-ethylhexyl)-N,3-dimethylpiperidin-4-amine
CID 114499149
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanoic acid
CID 114798284

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethylhexyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(2-ethylhexyl)pyrrolidin-3-yl]ethanol (CID 104627914) is 2-[1-(2-ethylhexyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(2-ethylhexyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(2-ethylhexyl)pyrrolidin-3-yl]ethanol is CCCCC(CC)CN1CCC(CCO)C1.
What is the InChIKey of 2-[1-(2-ethylhexyl)pyrrolidin-3-yl]ethanol?
The InChIKey is JITQOZNMRFIGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-3-5-6-13(4-2)11-15-9-7-14(12-15)8-10-16/h13-14,16H,3-12H2,1-2H3.
What are the key properties of 2-[1-(2-ethylhexyl)pyrrolidin-3-yl]ethanol?
2-[1-(2-ethylhexyl)pyrrolidin-3-yl]ethanol has a molecular weight of 227.39 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethylhexyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 104627914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).