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

C17H32ClNO2 — CID 3051031

IUPAC2-(diethylamino)ethyl 2-cyclopent-2-en-1-ylhexanoate;hydrochloride
SMILESCCCCC(C(=O)OCCN(CC)CC)C1C=CCC1.Cl
InChIInChI=1S/C17H31NO2.ClH/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;1H
InChIKeyXEEXKMCSLWONHP-UHFFFAOYSA-N
MW317.90 g/mol
LogP4.07
Rot. Bonds10

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

2-(diethylamino)ethyl 2-cyclopent-2-en-1-ylhexanoate;hydrochloride (PubChem CID 3051031) has the molecular formula C17H32ClNO2 and a molecular weight of 317.90 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-cyclopent-2-en-1-ylhexanoate;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-cyclopent-2-en-1-ylhexanoate;hydrochloride
PubChem CID3051031
Molecular FormulaC17H32ClNO2
Molecular Weight317.90 g/mol
Exact Mass317.21
IUPAC Name2-(diethylamino)ethyl 2-cyclopent-2-en-1-ylhexanoate;hydrochloride
SMILESCCCCC(C(=O)OCCN(CC)CC)C1C=CCC1.Cl
InChIInChI=1S/C17H31NO2.ClH/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;1H
InChIKeyXEEXKMCSLWONHP-UHFFFAOYSA-N
XLogP4.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.90
LogP ≤ 54.07
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;hydrochloride?
The IUPAC name of 2-(diethylamino)ethyl 2-cyclopent-2-en-1-ylhexanoate;hydrochloride (CID 3051031) is 2-(diethylamino)ethyl 2-cyclopent-2-en-1-ylhexanoate;hydrochloride.
What is the SMILES notation for 2-(diethylamino)ethyl 2-cyclopent-2-en-1-ylhexanoate;hydrochloride?
The canonical SMILES for 2-(diethylamino)ethyl 2-cyclopent-2-en-1-ylhexanoate;hydrochloride is CCCCC(C(=O)OCCN(CC)CC)C1C=CCC1.Cl.
What is the InChIKey of 2-(diethylamino)ethyl 2-cyclopent-2-en-1-ylhexanoate;hydrochloride?
The InChIKey is XEEXKMCSLWONHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2.ClH/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;1H.
What are the key properties of 2-(diethylamino)ethyl 2-cyclopent-2-en-1-ylhexanoate;hydrochloride?
2-(diethylamino)ethyl 2-cyclopent-2-en-1-ylhexanoate;hydrochloride has a molecular weight of 317.90 g/mol, XLogP of 4.07, 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;hydrochloride is sourced from PubChem (CID 3051031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).