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

C11H24N2O2 — CID 107912102

IUPAC2-ethyl-2-(2-pyrrolidin-1-ylethylamino)propane-1,3-diol
SMILESCCC(CO)(CO)NCCN1CCCC1
InChIInChI=1S/C11H24N2O2/c1-2-11(9-14,10-15)12-5-8-13-6-3-4-7-13/h12,14-15H,2-10H2,1H3
InChIKeyWFVSRBKJSLKUGC-UHFFFAOYSA-N
MW216.32 g/mol
LogP-0.19
Rot. Bonds7

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

2-ethyl-2-(2-pyrrolidin-1-ylethylamino)propane-1,3-diol (PubChem CID 107912102) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-ethyl-2-(2-pyrrolidin-1-ylethylamino)propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-(2-pyrrolidin-1-ylethylamino)propane-1,3-diol
PubChem CID107912102
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name2-ethyl-2-(2-pyrrolidin-1-ylethylamino)propane-1,3-diol
SMILESCCC(CO)(CO)NCCN1CCCC1
InChIInChI=1S/C11H24N2O2/c1-2-11(9-14,10-15)12-5-8-13-6-3-4-7-13/h12,14-15H,2-10H2,1H3
InChIKeyWFVSRBKJSLKUGC-UHFFFAOYSA-N
XLogP-0.19
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-(methylamino)-5-pyrrolidin-1-ylpentan-1-ol
CID 106809047
1-chloro-2-methyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 107913722
2-ethyl-2-[2-(1-methylpiperidin-2-yl)ethylamino]butan-1-ol
CID 62518488
2,2-dimethyl-3-(2-pyrrolidin-1-ylethylamino)propan-1-ol
CID 81413940
2-ethyl-2-(4-hydroxybutylamino)propane-1,3-diol
CID 107865357
2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine
CID 115651559
5-(4-ethoxypiperidin-1-yl)-2-ethyl-2-(propylamino)pentan-1-ol
CID 106809351
3-chloro-2-methyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 107913968
1-methoxy-2-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine
CID 103864713
2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 19869583
2-ethyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol
CID 106808849
2-ethyl-2-[(1-methylpiperidin-2-yl)methylamino]butan-1-ol
CID 62657761

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-pyrrolidin-1-ylethylamino)propane-1,3-diol?
The IUPAC name of 2-ethyl-2-(2-pyrrolidin-1-ylethylamino)propane-1,3-diol (CID 107912102) is 2-ethyl-2-(2-pyrrolidin-1-ylethylamino)propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-(2-pyrrolidin-1-ylethylamino)propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-(2-pyrrolidin-1-ylethylamino)propane-1,3-diol is CCC(CO)(CO)NCCN1CCCC1.
What is the InChIKey of 2-ethyl-2-(2-pyrrolidin-1-ylethylamino)propane-1,3-diol?
The InChIKey is WFVSRBKJSLKUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-2-11(9-14,10-15)12-5-8-13-6-3-4-7-13/h12,14-15H,2-10H2,1H3.
What are the key properties of 2-ethyl-2-(2-pyrrolidin-1-ylethylamino)propane-1,3-diol?
2-ethyl-2-(2-pyrrolidin-1-ylethylamino)propane-1,3-diol has a molecular weight of 216.32 g/mol, XLogP of -0.19, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-pyrrolidin-1-ylethylamino)propane-1,3-diol is sourced from PubChem (CID 107912102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).