2-(diethylamino)ethyl 2-cyclopent-2-en-1-ylhexanoate

C17H31NO2 — CID 3051032

IUPAC2-(diethylamino)ethyl 2-cyclopent-2-en-1-ylhexanoate
SMILESCCCCC(C(=O)OCCN(CC)CC)C1C=CCC1
InChIInChI=1S/C17H31NO2/c1-4-7-12-16(15-10-8-9-11-15)17(19)20-14-13-18(5-2)6-3/h8,10,15-16H,4-7,9,11-14H2,1-3H3
InChIKeyPOMXNUSQGAUMPG-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.64
Rot. Bonds10

About 2-(diethylamino)ethyl 2-cyclopent-2-en-1-ylhexanoate

2-(diethylamino)ethyl 2-cyclopent-2-en-1-ylhexanoate (PubChem CID 3051032) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-cyclopent-2-en-1-ylhexanoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-cyclopent-2-en-1-ylhexanoate
PubChem CID3051032
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name2-(diethylamino)ethyl 2-cyclopent-2-en-1-ylhexanoate
SMILESCCCCC(C(=O)OCCN(CC)CC)C1C=CCC1
InChIInChI=1S/C17H31NO2/c1-4-7-12-16(15-10-8-9-11-15)17(19)20-14-13-18(5-2)6-3/h8,10,15-16H,4-7,9,11-14H2,1-3H3
InChIKeyPOMXNUSQGAUMPG-UHFFFAOYSA-N
XLogP3.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2-cyclopent-2-en-1-ylhexanoate?
The IUPAC name of 2-(diethylamino)ethyl 2-cyclopent-2-en-1-ylhexanoate (CID 3051032) is 2-(diethylamino)ethyl 2-cyclopent-2-en-1-ylhexanoate.
What is the SMILES notation for 2-(diethylamino)ethyl 2-cyclopent-2-en-1-ylhexanoate?
The canonical SMILES for 2-(diethylamino)ethyl 2-cyclopent-2-en-1-ylhexanoate is CCCCC(C(=O)OCCN(CC)CC)C1C=CCC1.
What is the InChIKey of 2-(diethylamino)ethyl 2-cyclopent-2-en-1-ylhexanoate?
The InChIKey is POMXNUSQGAUMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-4-7-12-16(15-10-8-9-11-15)17(19)20-14-13-18(5-2)6-3/h8,10,15-16H,4-7,9,11-14H2,1-3H3.
What are the key properties of 2-(diethylamino)ethyl 2-cyclopent-2-en-1-ylhexanoate?
2-(diethylamino)ethyl 2-cyclopent-2-en-1-ylhexanoate has a molecular weight of 281.44 g/mol, XLogP of 3.64, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-cyclopent-2-en-1-ylhexanoate is sourced from PubChem (CID 3051032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).