[2-(hexylamino)-2-oxoethyl]-[2-[2-[[2-[[2-(hexylamino)-2-oxoethyl]-dimethylazaniumyl]acetyl]amino]ethylamino]-2-oxoethyl]-dimethylazanium

C26H54N6O4+2 — CID 122232071

IUPAC[2-(hexylamino)-2-oxoethyl]-[2-[2-[[2-[[2-(hexylamino)-2-oxoethyl]-dimethylazaniumyl]acetyl]amino]ethylamino]-2-oxoethyl]-dimethylazanium
SMILESCCCCCCNC(=O)C[N+](C)(C)CC(=O)NCCNC(=O)C[N+](C)(C)CC(=O)NCCCCCC
InChIInChI=1S/C26H52N6O4/c1-7-9-11-13-15-27-23(33)19-31(3,4)21-25(35)29-17-18-30-26(36)22-32(5,6)20-24(34)28-16-14-12-10-8-2/h7-22H2,1-6H3,(H2-2,27,28,29,30,33,34,35,36)/p+2
InChIKeyWYTIEVXIDUKTGA-UHFFFAOYSA-P
MW514.76 g/mol
LogP0.76
Rot. Bonds21

About [2-(hexylamino)-2-oxoethyl]-[2-[2-[[2-[[2-(hexylamino)-2-oxoethyl]-dimethylazaniumyl]acetyl]amino]ethylamino]-2-oxoethyl]-dimethylazanium

[2-(hexylamino)-2-oxoethyl]-[2-[2-[[2-[[2-(hexylamino)-2-oxoethyl]-dimethylazaniumyl]acetyl]amino]ethylamino]-2-oxoethyl]-dimethylazanium (PubChem CID 122232071) has the molecular formula C26H54N6O4+2 and a molecular weight of 514.76 g/mol. Its IUPAC name is [2-(hexylamino)-2-oxoethyl]-[2-[2-[[2-[[2-(hexylamino)-2-oxoethyl]-dimethylazaniumyl]acetyl]amino]ethylamino]-2-oxoethyl]-dimethylazanium.

Molecular Properties

Compound Name[2-(hexylamino)-2-oxoethyl]-[2-[2-[[2-[[2-(hexylamino)-2-oxoethyl]-dimethylazaniumyl]acetyl]amino]ethylamino]-2-oxoethyl]-dimethylazanium
PubChem CID122232071
Molecular FormulaC26H54N6O4+2
Molecular Weight514.76 g/mol
Exact Mass514.42
IUPAC Name[2-(hexylamino)-2-oxoethyl]-[2-[2-[[2-[[2-(hexylamino)-2-oxoethyl]-dimethylazaniumyl]acetyl]amino]ethylamino]-2-oxoethyl]-dimethylazanium
SMILESCCCCCCNC(=O)C[N+](C)(C)CC(=O)NCCNC(=O)C[N+](C)(C)CC(=O)NCCCCCC
InChIInChI=1S/C26H52N6O4/c1-7-9-11-13-15-27-23(33)19-31(3,4)21-25(35)29-17-18-30-26(36)22-32(5,6)20-24(34)28-16-14-12-10-8-2/h7-22H2,1-6H3,(H2-2,27,28,29,30,33,34,35,36)/p+2
InChIKeyWYTIEVXIDUKTGA-UHFFFAOYSA-P
XLogP0.76
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.76
LogP ≤ 50.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze [2-(hexylamino)-2-oxoethyl]-[2-[2-[[2-[[2-(hexylamino)-2-oxoethyl]-dimethylazaniumyl]acetyl]amino]ethylamino]-2-oxoethyl]-dimethylazanium with MolForge

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Launch Full Analysis

Related Compounds

[2-[6-[[2-[dimethyl(octyl)azaniumyl]acetyl]amino]hexylamino]-2-oxoethyl]-dimethyl-octylazanium
CID 122212878
12-[dimethyl-[2-(octylamino)-2-oxoethyl]azaniumyl]dodecyl-dimethyl-[2-(octylamino)-2-oxoethyl]azanium
CID 134154384
hexadecyl-dimethyl-[2-oxo-2-[3-(trimethylazaniumyl)propylamino]ethyl]azanium dichloride
CID 139878253
dimethyl-octadecyl-[2-oxo-2-[2-(trimethylazaniumyl)ethylamino]ethyl]azanium
CID 139878266
2-hydroxyethyl-[6-[2-hydroxyethyl-methyl-[2-(octylamino)-2-oxoethyl]azaniumyl]hexyl]-methyl-[2-(octylamino)-2-oxoethyl]azanium
CID 155523236
2-hydroxyethyl-[12-[2-hydroxyethyl-methyl-[2-(octylamino)-2-oxoethyl]azaniumyl]dodecyl]-methyl-[2-(octylamino)-2-oxoethyl]azanium
CID 155518292
N-butyl-N'-pentylpropanediamide
CID 89202031
[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-dimethyl-octadecylazanium
CID 139878263
benzyl-[2-(dodecylamino)-2-oxoethyl]-dimethylazanium
CID 7536
[2-[2-(dodecanoylamino)ethylamino]-2-oxoethyl]-trimethylazanium
CID 23556532
dodecyl-[2-[2-[2-[[2-[dodecyl(dimethyl)azaniumyl]acetyl]amino]ethylsulfanyl]ethylamino]-2-oxoethyl]-dimethylazanium
CID 102003396
[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-dimethyl-octadecylazanium chloride
CID 139878262

Frequently Asked Questions

What is the IUPAC name of [2-(hexylamino)-2-oxoethyl]-[2-[2-[[2-[[2-(hexylamino)-2-oxoethyl]-dimethylazaniumyl]acetyl]amino]ethylamino]-2-oxoethyl]-dimethylazanium?
The IUPAC name of [2-(hexylamino)-2-oxoethyl]-[2-[2-[[2-[[2-(hexylamino)-2-oxoethyl]-dimethylazaniumyl]acetyl]amino]ethylamino]-2-oxoethyl]-dimethylazanium (CID 122232071) is [2-(hexylamino)-2-oxoethyl]-[2-[2-[[2-[[2-(hexylamino)-2-oxoethyl]-dimethylazaniumyl]acetyl]amino]ethylamino]-2-oxoethyl]-dimethylazanium.
What is the SMILES notation for [2-(hexylamino)-2-oxoethyl]-[2-[2-[[2-[[2-(hexylamino)-2-oxoethyl]-dimethylazaniumyl]acetyl]amino]ethylamino]-2-oxoethyl]-dimethylazanium?
The canonical SMILES for [2-(hexylamino)-2-oxoethyl]-[2-[2-[[2-[[2-(hexylamino)-2-oxoethyl]-dimethylazaniumyl]acetyl]amino]ethylamino]-2-oxoethyl]-dimethylazanium is CCCCCCNC(=O)C[N+](C)(C)CC(=O)NCCNC(=O)C[N+](C)(C)CC(=O)NCCCCCC.
What is the InChIKey of [2-(hexylamino)-2-oxoethyl]-[2-[2-[[2-[[2-(hexylamino)-2-oxoethyl]-dimethylazaniumyl]acetyl]amino]ethylamino]-2-oxoethyl]-dimethylazanium?
The InChIKey is WYTIEVXIDUKTGA-UHFFFAOYSA-P. The full InChI is InChI=1S/C26H52N6O4/c1-7-9-11-13-15-27-23(33)19-31(3,4)21-25(35)29-17-18-30-26(36)22-32(5,6)20-24(34)28-16-14-12-10-8-2/h7-22H2,1-6H3,(H2-2,27,28,29,30,33,34,35,36)/p+2.
What are the key properties of [2-(hexylamino)-2-oxoethyl]-[2-[2-[[2-[[2-(hexylamino)-2-oxoethyl]-dimethylazaniumyl]acetyl]amino]ethylamino]-2-oxoethyl]-dimethylazanium?
[2-(hexylamino)-2-oxoethyl]-[2-[2-[[2-[[2-(hexylamino)-2-oxoethyl]-dimethylazaniumyl]acetyl]amino]ethylamino]-2-oxoethyl]-dimethylazanium has a molecular weight of 514.76 g/mol, XLogP of 0.76, 21 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hexylamino)-2-oxoethyl]-[2-[2-[[2-[[2-(hexylamino)-2-oxoethyl]-dimethylazaniumyl]acetyl]amino]ethylamino]-2-oxoethyl]-dimethylazanium is sourced from PubChem (CID 122232071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).