1-[2-(propylamino)ethyl]pyrrolidin-3-ol

C9H20N2O — CID 62942087

IUPAC1-[2-(propylamino)ethyl]pyrrolidin-3-ol
SMILESCCCNCCN1CCC(O)C1
InChIInChI=1S/C9H20N2O/c1-2-4-10-5-7-11-6-3-9(12)8-11/h9-10,12H,2-8H2,1H3
InChIKeyUSQWGQHVSRLZQF-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.05
Rot. Bonds5

About 1-[2-(propylamino)ethyl]pyrrolidin-3-ol

1-[2-(propylamino)ethyl]pyrrolidin-3-ol (PubChem CID 62942087) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-[2-(propylamino)ethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-(propylamino)ethyl]pyrrolidin-3-ol
PubChem CID62942087
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-[2-(propylamino)ethyl]pyrrolidin-3-ol
SMILESCCCNCCN1CCC(O)C1
InChIInChI=1S/C9H20N2O/c1-2-4-10-5-7-11-6-3-9(12)8-11/h9-10,12H,2-8H2,1H3
InChIKeyUSQWGQHVSRLZQF-UHFFFAOYSA-N
XLogP0.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-(propylamino)ethyl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(propylamino)ethyl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-(propylamino)ethyl]pyrrolidin-3-ol (CID 62942087) is 1-[2-(propylamino)ethyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-(propylamino)ethyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-(propylamino)ethyl]pyrrolidin-3-ol is CCCNCCN1CCC(O)C1.
What is the InChIKey of 1-[2-(propylamino)ethyl]pyrrolidin-3-ol?
The InChIKey is USQWGQHVSRLZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-2-4-10-5-7-11-6-3-9(12)8-11/h9-10,12H,2-8H2,1H3.
What are the key properties of 1-[2-(propylamino)ethyl]pyrrolidin-3-ol?
1-[2-(propylamino)ethyl]pyrrolidin-3-ol has a molecular weight of 172.27 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(propylamino)ethyl]pyrrolidin-3-ol is sourced from PubChem (CID 62942087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).