3-(dimethylamino)propyl 11-[(1R)-cyclopent-2-en-1-yl]undecanoate

C21H39NO2 — CID 58163588

IUPAC3-(dimethylamino)propyl 11-[(1R)-cyclopent-2-en-1-yl]undecanoate
SMILESCN(C)CCCOC(=O)CCCCCCCCCC[C@H]1C=CCC1
InChIInChI=1S/C21H39NO2/c1-22(2)18-13-19-24-21(23)17-10-8-6-4-3-5-7-9-14-20-15-11-12-16-20/h11,15,20H,3-10,12-14,16-19H2,1-2H3/t20-/m0/s1
InChIKeyHIQZERBOHWKVCM-FQEVSTJZSA-N
MW337.55 g/mol
LogP5.35
Rot. Bonds15

About 3-(dimethylamino)propyl 11-[(1R)-cyclopent-2-en-1-yl]undecanoate

3-(dimethylamino)propyl 11-[(1R)-cyclopent-2-en-1-yl]undecanoate (PubChem CID 58163588) has the molecular formula C21H39NO2 and a molecular weight of 337.55 g/mol. Its IUPAC name is 3-(dimethylamino)propyl 11-[(1R)-cyclopent-2-en-1-yl]undecanoate.

Molecular Properties

Compound Name3-(dimethylamino)propyl 11-[(1R)-cyclopent-2-en-1-yl]undecanoate
PubChem CID58163588
Molecular FormulaC21H39NO2
Molecular Weight337.55 g/mol
Exact Mass337.30
IUPAC Name3-(dimethylamino)propyl 11-[(1R)-cyclopent-2-en-1-yl]undecanoate
SMILESCN(C)CCCOC(=O)CCCCCCCCCC[C@H]1C=CCC1
InChIInChI=1S/C21H39NO2/c1-22(2)18-13-19-24-21(23)17-10-8-6-4-3-5-7-9-14-20-15-11-12-16-20/h11,15,20H,3-10,12-14,16-19H2,1-2H3/t20-/m0/s1
InChIKeyHIQZERBOHWKVCM-FQEVSTJZSA-N
XLogP5.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.55
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(dimethylamino)propyl 11-[(1R)-cyclopent-2-en-1-yl]undecanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propyl 11-[(1R)-cyclopent-2-en-1-yl]undecanoate?
The IUPAC name of 3-(dimethylamino)propyl 11-[(1R)-cyclopent-2-en-1-yl]undecanoate (CID 58163588) is 3-(dimethylamino)propyl 11-[(1R)-cyclopent-2-en-1-yl]undecanoate.
What is the SMILES notation for 3-(dimethylamino)propyl 11-[(1R)-cyclopent-2-en-1-yl]undecanoate?
The canonical SMILES for 3-(dimethylamino)propyl 11-[(1R)-cyclopent-2-en-1-yl]undecanoate is CN(C)CCCOC(=O)CCCCCCCCCC[C@H]1C=CCC1.
What is the InChIKey of 3-(dimethylamino)propyl 11-[(1R)-cyclopent-2-en-1-yl]undecanoate?
The InChIKey is HIQZERBOHWKVCM-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H39NO2/c1-22(2)18-13-19-24-21(23)17-10-8-6-4-3-5-7-9-14-20-15-11-12-16-20/h11,15,20H,3-10,12-14,16-19H2,1-2H3/t20-/m0/s1.
What are the key properties of 3-(dimethylamino)propyl 11-[(1R)-cyclopent-2-en-1-yl]undecanoate?
3-(dimethylamino)propyl 11-[(1R)-cyclopent-2-en-1-yl]undecanoate has a molecular weight of 337.55 g/mol, XLogP of 5.35, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propyl 11-[(1R)-cyclopent-2-en-1-yl]undecanoate is sourced from PubChem (CID 58163588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).