2-(diethylamino)-6-[dodecyl(ethyl)amino]hexanoic acid

C24H50N2O2 — CID 155231128

IUPAC2-(diethylamino)-6-[dodecyl(ethyl)amino]hexanoic acid
SMILESCCCCCCCCCCCCN(CC)CCCCC(C(=O)O)N(CC)CC
InChIInChI=1S/C24H50N2O2/c1-5-9-10-11-12-13-14-15-16-18-21-25(6-2)22-19-17-20-23(24(27)28)26(7-3)8-4/h23H,5-22H2,1-4H3,(H,27,28)
InChIKeyBHMHPDBGLPDGBC-UHFFFAOYSA-N
MW398.68 g/mol
LogP6.19
Rot. Bonds21

About 2-(diethylamino)-6-[dodecyl(ethyl)amino]hexanoic acid

2-(diethylamino)-6-[dodecyl(ethyl)amino]hexanoic acid (PubChem CID 155231128) has the molecular formula C24H50N2O2 and a molecular weight of 398.68 g/mol. Its IUPAC name is 2-(diethylamino)-6-[dodecyl(ethyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-(diethylamino)-6-[dodecyl(ethyl)amino]hexanoic acid
PubChem CID155231128
Molecular FormulaC24H50N2O2
Molecular Weight398.68 g/mol
Exact Mass398.39
IUPAC Name2-(diethylamino)-6-[dodecyl(ethyl)amino]hexanoic acid
SMILESCCCCCCCCCCCCN(CC)CCCCC(C(=O)O)N(CC)CC
InChIInChI=1S/C24H50N2O2/c1-5-9-10-11-12-13-14-15-16-18-21-25(6-2)22-19-17-20-23(24(27)28)26(7-3)8-4/h23H,5-22H2,1-4H3,(H,27,28)
InChIKeyBHMHPDBGLPDGBC-UHFFFAOYSA-N
XLogP6.19
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.68
LogP ≤ 56.19
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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Related Compounds

2-(diethylamino)heptanoic acid
CID 43803668
2-[2-[1-carboxyheptyl(ethyl)amino]ethyl-ethylamino]octanoic acid
CID 100970199
2,7-bis(diethylamino)octanedioic acid
CID 175151576
2-(didecylamino)pentanoic acid
CID 101314079
2-[di(tridecyl)amino]pentanoic acid
CID 101314139
2-[dodecyl(methyl)amino]icosanoic acid
CID 139370856
CID 158112465
CID 158112465
(2S)-6-amino-2-(dipentylamino)hexanoic acid
CID 57295047
(2S)-2-[ethyl(octadecyl)amino]-4-methylsulfanylbutanoic acid
CID 150539121
(2R)-2-(diethylamino)pentanoic acid
CID 30030442
2,5-bis(diethylamino)hexanedioic acid
CID 175154471
2-[2-[4-[2-[2-(didodecylamino)ethyl-dodecylamino]ethyl]piperazin-1-yl]ethyl-dodecylamino]dodecanoic acid
CID 175887141

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-6-[dodecyl(ethyl)amino]hexanoic acid?
The IUPAC name of 2-(diethylamino)-6-[dodecyl(ethyl)amino]hexanoic acid (CID 155231128) is 2-(diethylamino)-6-[dodecyl(ethyl)amino]hexanoic acid.
What is the SMILES notation for 2-(diethylamino)-6-[dodecyl(ethyl)amino]hexanoic acid?
The canonical SMILES for 2-(diethylamino)-6-[dodecyl(ethyl)amino]hexanoic acid is CCCCCCCCCCCCN(CC)CCCCC(C(=O)O)N(CC)CC.
What is the InChIKey of 2-(diethylamino)-6-[dodecyl(ethyl)amino]hexanoic acid?
The InChIKey is BHMHPDBGLPDGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N2O2/c1-5-9-10-11-12-13-14-15-16-18-21-25(6-2)22-19-17-20-23(24(27)28)26(7-3)8-4/h23H,5-22H2,1-4H3,(H,27,28).
What are the key properties of 2-(diethylamino)-6-[dodecyl(ethyl)amino]hexanoic acid?
2-(diethylamino)-6-[dodecyl(ethyl)amino]hexanoic acid has a molecular weight of 398.68 g/mol, XLogP of 6.19, 21 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-6-[dodecyl(ethyl)amino]hexanoic acid is sourced from PubChem (CID 155231128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).