2-ethyl-2-(pyrrolidin-1-ylmethyl)propane-1,3-diol

C10H21NO2 — CID 163595377

IUPAC2-ethyl-2-(pyrrolidin-1-ylmethyl)propane-1,3-diol
SMILESCCC(CO)(CO)CN1CCCC1
InChIInChI=1S/C10H21NO2/c1-2-10(8-12,9-13)7-11-5-3-4-6-11/h12-13H,2-9H2,1H3
InChIKeyGSZCYUMTUNVMQE-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.46
Rot. Bonds5

About 2-ethyl-2-(pyrrolidin-1-ylmethyl)propane-1,3-diol

2-ethyl-2-(pyrrolidin-1-ylmethyl)propane-1,3-diol (PubChem CID 163595377) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-ethyl-2-(pyrrolidin-1-ylmethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-(pyrrolidin-1-ylmethyl)propane-1,3-diol
PubChem CID163595377
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-ethyl-2-(pyrrolidin-1-ylmethyl)propane-1,3-diol
SMILESCCC(CO)(CO)CN1CCCC1
InChIInChI=1S/C10H21NO2/c1-2-10(8-12,9-13)7-11-5-3-4-6-11/h12-13H,2-9H2,1H3
InChIKeyGSZCYUMTUNVMQE-UHFFFAOYSA-N
XLogP0.46
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-Dimethyl-3-(Pyrrolidin-1-Yl)Propan-1-Ol
CID 268115
(1-((Pyrrolidin-1-yl)methyl)cyclopropyl)methanol
CID 66854227
N-isopentyl-3-hydroxymethylpyrrolidine
CID 10241251
2-[(Dimethylamino)methyl]-2-ethylpropane-1,3-diol
CID 117672
2,2-Dimethyl-1-pyrrolidin-1-ylpropan-1-ol
CID 21914502
[1-(2,2-Dimethylpropyl)-3-fluoropyrrolidin-3-yl]methanol
CID 130677437
[1-(2-Fluoroethyl)-3-methylpyrrolidin-3-yl]methanol
CID 130684690
[1-(2-Methoxyethyl)-3-methylpyrrolidin-3-yl]methanol
CID 296278
[3-(Hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol
CID 15107440
(1-Isobutylpyrrolidin-3-yl)methanol
CID 17999086
2-[(Dibutylamino)methyl]-2-methylpropane-1,3-diol
CID 18979314
2-(Diethylaminomethyl)-2-ethylpropane-1,3-diol
CID 18979315

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(pyrrolidin-1-ylmethyl)propane-1,3-diol?
The IUPAC name of 2-ethyl-2-(pyrrolidin-1-ylmethyl)propane-1,3-diol (CID 163595377) is 2-ethyl-2-(pyrrolidin-1-ylmethyl)propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-(pyrrolidin-1-ylmethyl)propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-(pyrrolidin-1-ylmethyl)propane-1,3-diol is CCC(CO)(CO)CN1CCCC1.
What is the InChIKey of 2-ethyl-2-(pyrrolidin-1-ylmethyl)propane-1,3-diol?
The InChIKey is GSZCYUMTUNVMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-2-10(8-12,9-13)7-11-5-3-4-6-11/h12-13H,2-9H2,1H3.
What are the key properties of 2-ethyl-2-(pyrrolidin-1-ylmethyl)propane-1,3-diol?
2-ethyl-2-(pyrrolidin-1-ylmethyl)propane-1,3-diol has a molecular weight of 187.28 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(pyrrolidin-1-ylmethyl)propane-1,3-diol is sourced from PubChem (CID 163595377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).