6-[di(tridecyl)amino]hexanoic acid

C32H65NO2 — CID 101314498

IUPAC6-[di(tridecyl)amino]hexanoic acid
SMILESCCCCCCCCCCCCCN(CCCCCCCCCCCCC)CCCCCC(=O)O
InChIInChI=1S/C32H65NO2/c1-3-5-7-9-11-13-15-17-19-21-25-29-33(31-27-23-24-28-32(34)35)30-26-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3,(H,34,35)
InChIKeyCMJMFIDFBYYEMS-UHFFFAOYSA-N
MW495.88 g/mol
LogP10.56
Rot. Bonds30

About 6-[di(tridecyl)amino]hexanoic acid

6-[di(tridecyl)amino]hexanoic acid (PubChem CID 101314498) has the molecular formula C32H65NO2 and a molecular weight of 495.88 g/mol. Its IUPAC name is 6-[di(tridecyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[di(tridecyl)amino]hexanoic acid
PubChem CID101314498
Molecular FormulaC32H65NO2
Molecular Weight495.88 g/mol
Exact Mass495.50
IUPAC Name6-[di(tridecyl)amino]hexanoic acid
SMILESCCCCCCCCCCCCCN(CCCCCCCCCCCCC)CCCCCC(=O)O
InChIInChI=1S/C32H65NO2/c1-3-5-7-9-11-13-15-17-19-21-25-29-33(31-27-23-24-28-32(34)35)30-26-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3,(H,34,35)
InChIKeyCMJMFIDFBYYEMS-UHFFFAOYSA-N
XLogP10.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds30
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.88
LogP ≤ 510.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(didodecylamino)butanoic acid
CID 101313875
4-[2-[3-carboxypropyl(dodecyl)amino]ethyl-dodecylamino]butanoic acid
CID 156699856
hexadecanoic acid;2-[2-hydroxyethyl(tetracosyl)amino]ethanol
CID 90146253
2-[2-hydroxyethyl(icosyl)amino]ethanol;tetradecanoic acid
CID 158492988
2-[heptadecyl(2-hydroxyethyl)amino]ethanol;octadecanoic acid
CID 90146098
docosanoic acid;2-[2-hydroxyethyl(tetradecyl)amino]ethanol
CID 158369485
3-[di(pentadecyl)amino]propanoic acid
CID 101313726
3-(dioctadecylamino)propanoic acid
CID 101313756
ethane;bis(tetradecanoic acid)
CID 160722701
bis(N,N-dibutylbutan-1-amine);pentanedioic acid
CID 173189158
ethane;methane;octadecanoic acid
CID 160893009
henicosane;tricosanoic acid
CID 175935357

Frequently Asked Questions

What is the IUPAC name of 6-[di(tridecyl)amino]hexanoic acid?
The IUPAC name of 6-[di(tridecyl)amino]hexanoic acid (CID 101314498) is 6-[di(tridecyl)amino]hexanoic acid.
What is the SMILES notation for 6-[di(tridecyl)amino]hexanoic acid?
The canonical SMILES for 6-[di(tridecyl)amino]hexanoic acid is CCCCCCCCCCCCCN(CCCCCCCCCCCCC)CCCCCC(=O)O.
What is the InChIKey of 6-[di(tridecyl)amino]hexanoic acid?
The InChIKey is CMJMFIDFBYYEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H65NO2/c1-3-5-7-9-11-13-15-17-19-21-25-29-33(31-27-23-24-28-32(34)35)30-26-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3,(H,34,35).
What are the key properties of 6-[di(tridecyl)amino]hexanoic acid?
6-[di(tridecyl)amino]hexanoic acid has a molecular weight of 495.88 g/mol, XLogP of 10.56, 30 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[di(tridecyl)amino]hexanoic acid is sourced from PubChem (CID 101314498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).