2-ethyl-2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]butan-1-ol

C14H29NO2 — CID 62479744

IUPAC2-ethyl-2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]butan-1-ol
SMILESCCC(CC)(CO)CN1CCCC1CCCO
InChIInChI=1S/C14H29NO2/c1-3-14(4-2,12-17)11-15-9-5-7-13(15)8-6-10-16/h13,16-17H,3-12H2,1-2H3
InChIKeyKDWJWAPDLLXOSI-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.02
Rot. Bonds8

About 2-ethyl-2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]butan-1-ol

2-ethyl-2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]butan-1-ol (PubChem CID 62479744) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-ethyl-2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]butan-1-ol
PubChem CID62479744
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-ethyl-2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]butan-1-ol
SMILESCCC(CC)(CO)CN1CCCC1CCCO
InChIInChI=1S/C14H29NO2/c1-3-14(4-2,12-17)11-15-9-5-7-13(15)8-6-10-16/h13,16-17H,3-12H2,1-2H3
InChIKeyKDWJWAPDLLXOSI-UHFFFAOYSA-N
XLogP2.02
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-ethylpyrrolidin-2-yl)propan-1-ol
CID 62467784
3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2,2-dimethylpropanal
CID 62478854
3-[1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]propan-1-ol
CID 55076512
3-[1-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]pyrrolidin-2-yl]propan-1-ol
CID 62479393
2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-ethylbutan-1-ol
CID 55055374
3-[1-(4-methylpentyl)pyrrolidin-2-yl]propan-1-ol
CID 83161632
(2S)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol
CID 106932811
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol
CID 62468156
3-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-1-ol
CID 80601823
2-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]butan-1-amine
CID 62278340
trifluoro-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]boranuide
CID 63704892
1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol
CID 114495321

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]butan-1-ol (CID 62479744) is 2-ethyl-2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]butan-1-ol is CCC(CC)(CO)CN1CCCC1CCCO.
What is the InChIKey of 2-ethyl-2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]butan-1-ol?
The InChIKey is KDWJWAPDLLXOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-3-14(4-2,12-17)11-15-9-5-7-13(15)8-6-10-16/h13,16-17H,3-12H2,1-2H3.
What are the key properties of 2-ethyl-2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]butan-1-ol?
2-ethyl-2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]butan-1-ol has a molecular weight of 243.39 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]butan-1-ol is sourced from PubChem (CID 62479744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).