2-aminoethyl tridecanoate

C15H31NO2 — CID 101278299

IUPAC2-aminoethyl tridecanoate
SMILESCCCCCCCCCCCCC(=O)OCCN
InChIInChI=1S/C15H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15(17)18-14-13-16/h2-14,16H2,1H3
InChIKeyTYQGLJHGKMZAAH-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.80
Rot. Bonds13

About 2-aminoethyl tridecanoate

2-aminoethyl tridecanoate (PubChem CID 101278299) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-aminoethyl tridecanoate.

Molecular Properties

Compound Name2-aminoethyl tridecanoate
PubChem CID101278299
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name2-aminoethyl tridecanoate
SMILESCCCCCCCCCCCCC(=O)OCCN
InChIInChI=1S/C15H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15(17)18-14-13-16/h2-14,16H2,1H3
InChIKeyTYQGLJHGKMZAAH-UHFFFAOYSA-N
XLogP3.80
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl tridecanoate?
The IUPAC name of 2-aminoethyl tridecanoate (CID 101278299) is 2-aminoethyl tridecanoate.
What is the SMILES notation for 2-aminoethyl tridecanoate?
The canonical SMILES for 2-aminoethyl tridecanoate is CCCCCCCCCCCCC(=O)OCCN.
What is the InChIKey of 2-aminoethyl tridecanoate?
The InChIKey is TYQGLJHGKMZAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15(17)18-14-13-16/h2-14,16H2,1H3.
What are the key properties of 2-aminoethyl tridecanoate?
2-aminoethyl tridecanoate has a molecular weight of 257.42 g/mol, XLogP of 3.80, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl tridecanoate is sourced from PubChem (CID 101278299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).