5-[di(tridecyl)amino]hexanoic acid

C32H65NO2 — CID 101314493

IUPAC5-[di(tridecyl)amino]hexanoic acid
SMILESCCCCCCCCCCCCCN(CCCCCCCCCCCCC)C(C)CCCC(=O)O
InChIInChI=1S/C32H65NO2/c1-4-6-8-10-12-14-16-18-20-22-24-29-33(31(3)27-26-28-32(34)35)30-25-23-21-19-17-15-13-11-9-7-5-2/h31H,4-30H2,1-3H3,(H,34,35)
InChIKeyHTADBCAAOXVSPD-UHFFFAOYSA-N
MW495.88 g/mol
LogP10.55
Rot. Bonds29

About 5-[di(tridecyl)amino]hexanoic acid

5-[di(tridecyl)amino]hexanoic acid (PubChem CID 101314493) has the molecular formula C32H65NO2 and a molecular weight of 495.88 g/mol. Its IUPAC name is 5-[di(tridecyl)amino]hexanoic acid.

Molecular Properties

Compound Name5-[di(tridecyl)amino]hexanoic acid
PubChem CID101314493
Molecular FormulaC32H65NO2
Molecular Weight495.88 g/mol
Exact Mass495.50
IUPAC Name5-[di(tridecyl)amino]hexanoic acid
SMILESCCCCCCCCCCCCCN(CCCCCCCCCCCCC)C(C)CCCC(=O)O
InChIInChI=1S/C32H65NO2/c1-4-6-8-10-12-14-16-18-20-22-24-29-33(31(3)27-26-28-32(34)35)30-25-23-21-19-17-15-13-11-9-7-5-2/h31H,4-30H2,1-3H3,(H,34,35)
InChIKeyHTADBCAAOXVSPD-UHFFFAOYSA-N
XLogP10.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds29
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.88
LogP ≤ 510.55
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-[di(henicosyl)amino]pentanoic acid
CID 101314309
4-[di(nonyl)amino]pentanoic acid
CID 101314069
4-(dioctylamino)pentanoic acid
CID 101313470
4-[di(docosyl)amino]pentanoic acid
CID 101314329
4-[octyl(propan-2-yl)amino]butanoic acid
CID 60833622
sodium 5-[di(pentadecyl)amino]hexanoate
CID 101314546
3-[di(icosyl)amino]butanoic acid
CID 101313989
3-(dioctylamino)butanoic acid
CID 101313450
lithium 4-[di(nonadecyl)amino]pentanoate
CID 101314270
calcium bis(4-(didodecylamino)pentanoate)
CID 101314133
lithium 4-(didodecylamino)pentanoate
CID 101314130
lithium 4-[di(nonyl)amino]pentanoate
CID 101314070

Frequently Asked Questions

What is the IUPAC name of 5-[di(tridecyl)amino]hexanoic acid?
The IUPAC name of 5-[di(tridecyl)amino]hexanoic acid (CID 101314493) is 5-[di(tridecyl)amino]hexanoic acid.
What is the SMILES notation for 5-[di(tridecyl)amino]hexanoic acid?
The canonical SMILES for 5-[di(tridecyl)amino]hexanoic acid is CCCCCCCCCCCCCN(CCCCCCCCCCCCC)C(C)CCCC(=O)O.
What is the InChIKey of 5-[di(tridecyl)amino]hexanoic acid?
The InChIKey is HTADBCAAOXVSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H65NO2/c1-4-6-8-10-12-14-16-18-20-22-24-29-33(31(3)27-26-28-32(34)35)30-25-23-21-19-17-15-13-11-9-7-5-2/h31H,4-30H2,1-3H3,(H,34,35).
What are the key properties of 5-[di(tridecyl)amino]hexanoic acid?
5-[di(tridecyl)amino]hexanoic acid has a molecular weight of 495.88 g/mol, XLogP of 10.55, 29 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[di(tridecyl)amino]hexanoic acid is sourced from PubChem (CID 101314493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).