2-(diethylamino)ethyl 2-cyclohex-2-en-1-yl-2-cyclopent-2-en-1-ylacetate;hydrochloride

C19H32ClNO2 — CID 3051017

IUPAC2-(diethylamino)ethyl 2-cyclohex-2-en-1-yl-2-cyclopent-2-en-1-ylacetate;hydrochloride
SMILESCCN(CC)CCOC(=O)C(C1C=CCC1)C1C=CCCC1.Cl
InChIInChI=1S/C19H31NO2.ClH/c1-3-20(4-2)14-15-22-19(21)18(17-12-8-9-13-17)16-10-6-5-7-11-16;/h6,8,10,12,16-18H,3-5,7,9,11,13-15H2,1-2H3;1H
InChIKeyATWJJZWQHRMNJU-UHFFFAOYSA-N
MW341.92 g/mol
LogP4.23
Rot. Bonds8

About 2-(diethylamino)ethyl 2-cyclohex-2-en-1-yl-2-cyclopent-2-en-1-ylacetate;hydrochloride

2-(diethylamino)ethyl 2-cyclohex-2-en-1-yl-2-cyclopent-2-en-1-ylacetate;hydrochloride (PubChem CID 3051017) has the molecular formula C19H32ClNO2 and a molecular weight of 341.92 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-cyclohex-2-en-1-yl-2-cyclopent-2-en-1-ylacetate;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-cyclohex-2-en-1-yl-2-cyclopent-2-en-1-ylacetate;hydrochloride
PubChem CID3051017
Molecular FormulaC19H32ClNO2
Molecular Weight341.92 g/mol
Exact Mass341.21
IUPAC Name2-(diethylamino)ethyl 2-cyclohex-2-en-1-yl-2-cyclopent-2-en-1-ylacetate;hydrochloride
SMILESCCN(CC)CCOC(=O)C(C1C=CCC1)C1C=CCCC1.Cl
InChIInChI=1S/C19H31NO2.ClH/c1-3-20(4-2)14-15-22-19(21)18(17-12-8-9-13-17)16-10-6-5-7-11-16;/h6,8,10,12,16-18H,3-5,7,9,11,13-15H2,1-2H3;1H
InChIKeyATWJJZWQHRMNJU-UHFFFAOYSA-N
XLogP4.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.92
LogP ≤ 54.23
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-cyclohex-2-en-1-yl-2-cyclopent-2-en-1-ylacetate;hydrochloride?
The IUPAC name of 2-(diethylamino)ethyl 2-cyclohex-2-en-1-yl-2-cyclopent-2-en-1-ylacetate;hydrochloride (CID 3051017) is 2-(diethylamino)ethyl 2-cyclohex-2-en-1-yl-2-cyclopent-2-en-1-ylacetate;hydrochloride.
What is the SMILES notation for 2-(diethylamino)ethyl 2-cyclohex-2-en-1-yl-2-cyclopent-2-en-1-ylacetate;hydrochloride?
The canonical SMILES for 2-(diethylamino)ethyl 2-cyclohex-2-en-1-yl-2-cyclopent-2-en-1-ylacetate;hydrochloride is CCN(CC)CCOC(=O)C(C1C=CCC1)C1C=CCCC1.Cl.
What is the InChIKey of 2-(diethylamino)ethyl 2-cyclohex-2-en-1-yl-2-cyclopent-2-en-1-ylacetate;hydrochloride?
The InChIKey is ATWJJZWQHRMNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2.ClH/c1-3-20(4-2)14-15-22-19(21)18(17-12-8-9-13-17)16-10-6-5-7-11-16;/h6,8,10,12,16-18H,3-5,7,9,11,13-15H2,1-2H3;1H.
What are the key properties of 2-(diethylamino)ethyl 2-cyclohex-2-en-1-yl-2-cyclopent-2-en-1-ylacetate;hydrochloride?
2-(diethylamino)ethyl 2-cyclohex-2-en-1-yl-2-cyclopent-2-en-1-ylacetate;hydrochloride has a molecular weight of 341.92 g/mol, XLogP of 4.23, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-cyclohex-2-en-1-yl-2-cyclopent-2-en-1-ylacetate;hydrochloride is sourced from PubChem (CID 3051017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).