1-(2-ethylhexyl)pyrrolidine-3,4-diol

C12H25NO2 — CID 106672045

IUPAC1-(2-ethylhexyl)pyrrolidine-3,4-diol
SMILESCCCCC(CC)CN1CC(O)C(O)C1
InChIInChI=1S/C12H25NO2/c1-3-5-6-10(4-2)7-13-8-11(14)12(15)9-13/h10-12,14-15H,3-9H2,1-2H3
InChIKeyNJUCYOIOYBDKTA-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.24
Rot. Bonds6

About 1-(2-ethylhexyl)pyrrolidine-3,4-diol

1-(2-ethylhexyl)pyrrolidine-3,4-diol (PubChem CID 106672045) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-(2-ethylhexyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(2-ethylhexyl)pyrrolidine-3,4-diol
PubChem CID106672045
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-(2-ethylhexyl)pyrrolidine-3,4-diol
SMILESCCCCC(CC)CN1CC(O)C(O)C1
InChIInChI=1S/C12H25NO2/c1-3-5-6-10(4-2)7-13-8-11(14)12(15)9-13/h10-12,14-15H,3-9H2,1-2H3
InChIKeyNJUCYOIOYBDKTA-UHFFFAOYSA-N
XLogP1.24
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylhexyl)-4-methylpyrrolidin-3-amine
CID 103576746
4-bromo-1-(2-ethylhexyl)piperidine
CID 80678889
azanium;benzene;1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinane;chloride
CID 158113126
2-[1-(2-ethylhexyl)pyrrolidin-3-yl]ethanol
CID 104627914
4-(1-chloroethyl)-1-(2-ethylhexyl)piperidine
CID 106837967
1-(2-ethylhexyl)-4,6-dimethyl-1,5-diazocane
CID 107817900
2-[1-(2-ethylhexyl)piperidin-3-yl]ethanol
CID 55064618
1-(2-ethylpentyl)-3-methylazetidine
CID 170275965
3-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)pentan-1-ol
CID 144714373
N-ethyl-1-(2-ethylhexyl)pyrrolidin-3-amine
CID 107815392
1-(2-ethylhexyl)-3-methyl-1,4-diazepane
CID 64859197
3-[(3-propylazetidin-1-yl)methyl]pentan-1-ol
CID 104550573

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexyl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(2-ethylhexyl)pyrrolidine-3,4-diol (CID 106672045) is 1-(2-ethylhexyl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(2-ethylhexyl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(2-ethylhexyl)pyrrolidine-3,4-diol is CCCCC(CC)CN1CC(O)C(O)C1.
What is the InChIKey of 1-(2-ethylhexyl)pyrrolidine-3,4-diol?
The InChIKey is NJUCYOIOYBDKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-5-6-10(4-2)7-13-8-11(14)12(15)9-13/h10-12,14-15H,3-9H2,1-2H3.
What are the key properties of 1-(2-ethylhexyl)pyrrolidine-3,4-diol?
1-(2-ethylhexyl)pyrrolidine-3,4-diol has a molecular weight of 215.34 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 106672045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).