3-(2-aminoethyl)-1-propylpyrrolidin-3-ol

C9H20N2O — CID 83914587

IUPAC3-(2-aminoethyl)-1-propylpyrrolidin-3-ol
SMILESCCCN1CCC(O)(CCN)C1
InChIInChI=1S/C9H20N2O/c1-2-6-11-7-4-9(12,8-11)3-5-10/h12H,2-8,10H2,1H3
InChIKeyYZBGOEDRYAFIMX-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.18
Rot. Bonds4

About 3-(2-aminoethyl)-1-propylpyrrolidin-3-ol

3-(2-aminoethyl)-1-propylpyrrolidin-3-ol (PubChem CID 83914587) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1-propylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-(2-aminoethyl)-1-propylpyrrolidin-3-ol
PubChem CID83914587
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name3-(2-aminoethyl)-1-propylpyrrolidin-3-ol
SMILESCCCN1CCC(O)(CCN)C1
InChIInChI=1S/C9H20N2O/c1-2-6-11-7-4-9(12,8-11)3-5-10/h12H,2-8,10H2,1H3
InChIKeyYZBGOEDRYAFIMX-UHFFFAOYSA-N
XLogP0.18
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1-propylpyrrolidin-3-ol?
The IUPAC name of 3-(2-aminoethyl)-1-propylpyrrolidin-3-ol (CID 83914587) is 3-(2-aminoethyl)-1-propylpyrrolidin-3-ol.
What is the SMILES notation for 3-(2-aminoethyl)-1-propylpyrrolidin-3-ol?
The canonical SMILES for 3-(2-aminoethyl)-1-propylpyrrolidin-3-ol is CCCN1CCC(O)(CCN)C1.
What is the InChIKey of 3-(2-aminoethyl)-1-propylpyrrolidin-3-ol?
The InChIKey is YZBGOEDRYAFIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-2-6-11-7-4-9(12,8-11)3-5-10/h12H,2-8,10H2,1H3.
What are the key properties of 3-(2-aminoethyl)-1-propylpyrrolidin-3-ol?
3-(2-aminoethyl)-1-propylpyrrolidin-3-ol has a molecular weight of 172.27 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1-propylpyrrolidin-3-ol is sourced from PubChem (CID 83914587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).