2-[2-(propylamino)ethoxy]ethyl pentanoate

C12H25NO3 — CID 82532625

IUPAC2-[2-(propylamino)ethoxy]ethyl pentanoate
SMILESCCCCC(=O)OCCOCCNCCC
InChIInChI=1S/C12H25NO3/c1-3-5-6-12(14)16-11-10-15-9-8-13-7-4-2/h13H,3-11H2,1-2H3
InChIKeyHJVMOCAMYLOKCO-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.74
Rot. Bonds11

About 2-[2-(propylamino)ethoxy]ethyl pentanoate

2-[2-(propylamino)ethoxy]ethyl pentanoate (PubChem CID 82532625) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[2-(propylamino)ethoxy]ethyl pentanoate.

Molecular Properties

Compound Name2-[2-(propylamino)ethoxy]ethyl pentanoate
PubChem CID82532625
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name2-[2-(propylamino)ethoxy]ethyl pentanoate
SMILESCCCCC(=O)OCCOCCNCCC
InChIInChI=1S/C12H25NO3/c1-3-5-6-12(14)16-11-10-15-9-8-13-7-4-2/h13H,3-11H2,1-2H3
InChIKeyHJVMOCAMYLOKCO-UHFFFAOYSA-N
XLogP1.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(propylamino)ethoxy]ethyl pentanoate with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-butanoyloxyethoxy)ethyl pentanoate
CID 90142854
2-(2-butoxyethoxy)ethyl pentanoate
CID 57063058
2-(2-propoxyethylamino)ethyl dodecanoate
CID 118029095
2-(2-nonanoyloxyethylamino)ethyl nonanoate
CID 101278322
2-(2-dotriacontanoyloxyethoxy)ethyl dotriacontanoate
CID 102240305
2-[2-(2-decanoyloxyethoxy)ethoxy]ethyl decanoate
CID 7787
2-(2-heptadecanoyloxyethoxy)ethyl heptadecanoate
CID 102240292
2-[2-[2-(2-pentadecanoyloxyethoxy)ethoxy]ethoxy]ethyl pentadecanoate
CID 54361642
2-(2-butoxyethoxy)ethyl octadecanoate
CID 3022830
2-(2-hexoxyethoxy)ethyl decanoate
CID 139604752
2-(2-hexoxyethoxy)ethyl octadecanoate
CID 139604732
2-dodecoxyethyl octadecanoate
CID 23042460

Frequently Asked Questions

What is the IUPAC name of 2-[2-(propylamino)ethoxy]ethyl pentanoate?
The IUPAC name of 2-[2-(propylamino)ethoxy]ethyl pentanoate (CID 82532625) is 2-[2-(propylamino)ethoxy]ethyl pentanoate.
What is the SMILES notation for 2-[2-(propylamino)ethoxy]ethyl pentanoate?
The canonical SMILES for 2-[2-(propylamino)ethoxy]ethyl pentanoate is CCCCC(=O)OCCOCCNCCC.
What is the InChIKey of 2-[2-(propylamino)ethoxy]ethyl pentanoate?
The InChIKey is HJVMOCAMYLOKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-3-5-6-12(14)16-11-10-15-9-8-13-7-4-2/h13H,3-11H2,1-2H3.
What are the key properties of 2-[2-(propylamino)ethoxy]ethyl pentanoate?
2-[2-(propylamino)ethoxy]ethyl pentanoate has a molecular weight of 231.34 g/mol, XLogP of 1.74, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(propylamino)ethoxy]ethyl pentanoate is sourced from PubChem (CID 82532625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).