3-(didecylamino)hexanoic acid

C26H53NO2 — CID 101314409

IUPAC3-(didecylamino)hexanoic acid
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(CCC)CC(=O)O
InChIInChI=1S/C26H53NO2/c1-4-7-9-11-13-15-17-19-22-27(25(21-6-3)24-26(28)29)23-20-18-16-14-12-10-8-5-2/h25H,4-24H2,1-3H3,(H,28,29)
InChIKeyUPPBPPHUELEPBD-UHFFFAOYSA-N
MW411.72 g/mol
LogP8.21
Rot. Bonds23

About 3-(didecylamino)hexanoic acid

3-(didecylamino)hexanoic acid (PubChem CID 101314409) has the molecular formula C26H53NO2 and a molecular weight of 411.72 g/mol. Its IUPAC name is 3-(didecylamino)hexanoic acid.

Molecular Properties

Compound Name3-(didecylamino)hexanoic acid
PubChem CID101314409
Molecular FormulaC26H53NO2
Molecular Weight411.72 g/mol
Exact Mass411.41
IUPAC Name3-(didecylamino)hexanoic acid
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(CCC)CC(=O)O
InChIInChI=1S/C26H53NO2/c1-4-7-9-11-13-15-17-19-22-27(25(21-6-3)24-26(28)29)23-20-18-16-14-12-10-8-5-2/h25H,4-24H2,1-3H3,(H,28,29)
InChIKeyUPPBPPHUELEPBD-UHFFFAOYSA-N
XLogP8.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.72
LogP ≤ 58.21
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

3-[di(tricosyl)amino]hexanoic acid
CID 101314733
sodium 3-[di(undecyl)amino]hexanoate
CID 101314437
calcium bis(3-[di(tridecyl)amino]hexanoate)
CID 101314487
3-[di(icosyl)amino]butanoic acid
CID 101313989
3-(dioctylamino)butanoic acid
CID 101313450
2-(didecylamino)pentanoic acid
CID 101314079
2-[di(tridecyl)amino]pentanoic acid
CID 101314139
sodium 4-[di(nonyl)amino]heptanoate
CID 101314791
2-[2-carboxyethyl(hexyl)amino]pentanoic acid
CID 82328380
lithium 4-[di(nonyl)amino]heptanoate
CID 101314789
4-[di(docosyl)amino]pentanoic acid
CID 101314329
4-(dioctylamino)pentanoic acid
CID 101313470

Frequently Asked Questions

What is the IUPAC name of 3-(didecylamino)hexanoic acid?
The IUPAC name of 3-(didecylamino)hexanoic acid (CID 101314409) is 3-(didecylamino)hexanoic acid.
What is the SMILES notation for 3-(didecylamino)hexanoic acid?
The canonical SMILES for 3-(didecylamino)hexanoic acid is CCCCCCCCCCN(CCCCCCCCCC)C(CCC)CC(=O)O.
What is the InChIKey of 3-(didecylamino)hexanoic acid?
The InChIKey is UPPBPPHUELEPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H53NO2/c1-4-7-9-11-13-15-17-19-22-27(25(21-6-3)24-26(28)29)23-20-18-16-14-12-10-8-5-2/h25H,4-24H2,1-3H3,(H,28,29).
What are the key properties of 3-(didecylamino)hexanoic acid?
3-(didecylamino)hexanoic acid has a molecular weight of 411.72 g/mol, XLogP of 8.21, 23 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(didecylamino)hexanoic acid is sourced from PubChem (CID 101314409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).