2-(diethylamino)ethyl 2-cyclohexyl-2-cyclopent-2-en-1-ylacetate

C19H33NO2 — CID 3051034

IUPAC2-(diethylamino)ethyl 2-cyclohexyl-2-cyclopent-2-en-1-ylacetate
SMILESCCN(CC)CCOC(=O)C(C1C=CCC1)C1CCCCC1
InChIInChI=1S/C19H33NO2/c1-3-20(4-2)14-15-22-19(21)18(17-12-8-9-13-17)16-10-6-5-7-11-16/h8,12,16-18H,3-7,9-11,13-15H2,1-2H3
InChIKeyUWTHHISRHNGXLO-UHFFFAOYSA-N
MW307.48 g/mol
LogP4.03
Rot. Bonds8

About 2-(diethylamino)ethyl 2-cyclohexyl-2-cyclopent-2-en-1-ylacetate

2-(diethylamino)ethyl 2-cyclohexyl-2-cyclopent-2-en-1-ylacetate (PubChem CID 3051034) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-cyclohexyl-2-cyclopent-2-en-1-ylacetate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-cyclohexyl-2-cyclopent-2-en-1-ylacetate
PubChem CID3051034
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC Name2-(diethylamino)ethyl 2-cyclohexyl-2-cyclopent-2-en-1-ylacetate
SMILESCCN(CC)CCOC(=O)C(C1C=CCC1)C1CCCCC1
InChIInChI=1S/C19H33NO2/c1-3-20(4-2)14-15-22-19(21)18(17-12-8-9-13-17)16-10-6-5-7-11-16/h8,12,16-18H,3-7,9-11,13-15H2,1-2H3
InChIKeyUWTHHISRHNGXLO-UHFFFAOYSA-N
XLogP4.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 54.03
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-cyclohexyl-2-cyclopent-2-en-1-ylacetate?
The IUPAC name of 2-(diethylamino)ethyl 2-cyclohexyl-2-cyclopent-2-en-1-ylacetate (CID 3051034) is 2-(diethylamino)ethyl 2-cyclohexyl-2-cyclopent-2-en-1-ylacetate.
What is the SMILES notation for 2-(diethylamino)ethyl 2-cyclohexyl-2-cyclopent-2-en-1-ylacetate?
The canonical SMILES for 2-(diethylamino)ethyl 2-cyclohexyl-2-cyclopent-2-en-1-ylacetate is CCN(CC)CCOC(=O)C(C1C=CCC1)C1CCCCC1.
What is the InChIKey of 2-(diethylamino)ethyl 2-cyclohexyl-2-cyclopent-2-en-1-ylacetate?
The InChIKey is UWTHHISRHNGXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO2/c1-3-20(4-2)14-15-22-19(21)18(17-12-8-9-13-17)16-10-6-5-7-11-16/h8,12,16-18H,3-7,9-11,13-15H2,1-2H3.
What are the key properties of 2-(diethylamino)ethyl 2-cyclohexyl-2-cyclopent-2-en-1-ylacetate?
2-(diethylamino)ethyl 2-cyclohexyl-2-cyclopent-2-en-1-ylacetate has a molecular weight of 307.48 g/mol, XLogP of 4.03, 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-cyclohexyl-2-cyclopent-2-en-1-ylacetate is sourced from PubChem (CID 3051034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).