3-(dimethylamino)propyl 13-[(1R)-cyclopent-2-en-1-yl]tridecanoate

C23H43NO2 — CID 58163591

IUPAC3-(dimethylamino)propyl 13-[(1R)-cyclopent-2-en-1-yl]tridecanoate
SMILESCN(C)CCCOC(=O)CCCCCCCCCCCC[C@H]1C=CCC1
InChIInChI=1S/C23H43NO2/c1-24(2)20-15-21-26-23(25)19-12-10-8-6-4-3-5-7-9-11-16-22-17-13-14-18-22/h13,17,22H,3-12,14-16,18-21H2,1-2H3/t22-/m0/s1
InChIKeySGVHHSSPRRKVAD-QFIPXVFZSA-N
MW365.60 g/mol
LogP6.13
Rot. Bonds17

About 3-(dimethylamino)propyl 13-[(1R)-cyclopent-2-en-1-yl]tridecanoate

3-(dimethylamino)propyl 13-[(1R)-cyclopent-2-en-1-yl]tridecanoate (PubChem CID 58163591) has the molecular formula C23H43NO2 and a molecular weight of 365.60 g/mol. Its IUPAC name is 3-(dimethylamino)propyl 13-[(1R)-cyclopent-2-en-1-yl]tridecanoate.

Molecular Properties

Compound Name3-(dimethylamino)propyl 13-[(1R)-cyclopent-2-en-1-yl]tridecanoate
PubChem CID58163591
Molecular FormulaC23H43NO2
Molecular Weight365.60 g/mol
Exact Mass365.33
IUPAC Name3-(dimethylamino)propyl 13-[(1R)-cyclopent-2-en-1-yl]tridecanoate
SMILESCN(C)CCCOC(=O)CCCCCCCCCCCC[C@H]1C=CCC1
InChIInChI=1S/C23H43NO2/c1-24(2)20-15-21-26-23(25)19-12-10-8-6-4-3-5-7-9-11-16-22-17-13-14-18-22/h13,17,22H,3-12,14-16,18-21H2,1-2H3/t22-/m0/s1
InChIKeySGVHHSSPRRKVAD-QFIPXVFZSA-N
XLogP6.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.60
LogP ≤ 56.13
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propyl 13-[(1R)-cyclopent-2-en-1-yl]tridecanoate?
The IUPAC name of 3-(dimethylamino)propyl 13-[(1R)-cyclopent-2-en-1-yl]tridecanoate (CID 58163591) is 3-(dimethylamino)propyl 13-[(1R)-cyclopent-2-en-1-yl]tridecanoate.
What is the SMILES notation for 3-(dimethylamino)propyl 13-[(1R)-cyclopent-2-en-1-yl]tridecanoate?
The canonical SMILES for 3-(dimethylamino)propyl 13-[(1R)-cyclopent-2-en-1-yl]tridecanoate is CN(C)CCCOC(=O)CCCCCCCCCCCC[C@H]1C=CCC1.
What is the InChIKey of 3-(dimethylamino)propyl 13-[(1R)-cyclopent-2-en-1-yl]tridecanoate?
The InChIKey is SGVHHSSPRRKVAD-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H43NO2/c1-24(2)20-15-21-26-23(25)19-12-10-8-6-4-3-5-7-9-11-16-22-17-13-14-18-22/h13,17,22H,3-12,14-16,18-21H2,1-2H3/t22-/m0/s1.
What are the key properties of 3-(dimethylamino)propyl 13-[(1R)-cyclopent-2-en-1-yl]tridecanoate?
3-(dimethylamino)propyl 13-[(1R)-cyclopent-2-en-1-yl]tridecanoate has a molecular weight of 365.60 g/mol, XLogP of 6.13, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propyl 13-[(1R)-cyclopent-2-en-1-yl]tridecanoate is sourced from PubChem (CID 58163591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).