[2-(diethylamino)-2-oxoethyl]-[6-[[2-(diethylamino)-2-oxoethyl]-dimethylazaniumyl]hexyl]-dimethylazanium

C22H48N4O2+2 — CID 24833322

IUPAC[2-(diethylamino)-2-oxoethyl]-[6-[[2-(diethylamino)-2-oxoethyl]-dimethylazaniumyl]hexyl]-dimethylazanium
SMILESCCN(CC)C(=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(=O)N(CC)CC
InChIInChI=1S/C22H48N4O2/c1-9-23(10-2)21(27)19-25(5,6)17-15-13-14-16-18-26(7,8)20-22(28)24(11-3)12-4/h9-20H2,1-8H3/q+2
InChIKeyCQQRZSNBENVVCU-UHFFFAOYSA-N
MW400.65 g/mol
LogP2.44
Rot. Bonds15

About [2-(diethylamino)-2-oxoethyl]-[6-[[2-(diethylamino)-2-oxoethyl]-dimethylazaniumyl]hexyl]-dimethylazanium

[2-(diethylamino)-2-oxoethyl]-[6-[[2-(diethylamino)-2-oxoethyl]-dimethylazaniumyl]hexyl]-dimethylazanium (PubChem CID 24833322) has the molecular formula C22H48N4O2+2 and a molecular weight of 400.65 g/mol. Its IUPAC name is [2-(diethylamino)-2-oxoethyl]-[6-[[2-(diethylamino)-2-oxoethyl]-dimethylazaniumyl]hexyl]-dimethylazanium.

Molecular Properties

Compound Name[2-(diethylamino)-2-oxoethyl]-[6-[[2-(diethylamino)-2-oxoethyl]-dimethylazaniumyl]hexyl]-dimethylazanium
PubChem CID24833322
Molecular FormulaC22H48N4O2+2
Molecular Weight400.65 g/mol
Exact Mass400.38
IUPAC Name[2-(diethylamino)-2-oxoethyl]-[6-[[2-(diethylamino)-2-oxoethyl]-dimethylazaniumyl]hexyl]-dimethylazanium
SMILESCCN(CC)C(=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(=O)N(CC)CC
InChIInChI=1S/C22H48N4O2/c1-9-23(10-2)21(27)19-25(5,6)17-15-13-14-16-18-26(7,8)20-22(28)24(11-3)12-4/h9-20H2,1-8H3/q+2
InChIKeyCQQRZSNBENVVCU-UHFFFAOYSA-N
XLogP2.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.65
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(dimethylamino)-2-oxoethyl]-[6-[[2-(dimethylamino)-2-oxoethyl]-dimethylazaniumyl]hexyl]-dimethylazanium
CID 24833334
carboxymethyl-docosyl-dimethylazanium
CID 21149404
2-[11-[ethyl(prop-2-enoyl)amino]undecyl-dimethylazaniumyl]acetate
CID 126688640
carboxymethyl-hexadecyl-dimethylazanium chloride
CID 21069695
2-[dodecyl(dimethyl)azaniumyl]acetate
CID 172850444
decyl-(3,3-dimethyl-2-oxobutyl)-dimethylazanium
CID 12727808
(2-methoxy-2-oxoethyl)-dimethyl-tetradecylazanium
CID 12573214
dodecyl-(2-methoxy-2-oxoethyl)-dimethylazanium
CID 12573210
bis(11-carboxyundecyl)-dimethylazanium
CID 102174919
carboxymethyl-(10-hydroxydecyl)-dimethylazanium
CID 54427738
[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

Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-2-oxoethyl]-[6-[[2-(diethylamino)-2-oxoethyl]-dimethylazaniumyl]hexyl]-dimethylazanium?
The IUPAC name of [2-(diethylamino)-2-oxoethyl]-[6-[[2-(diethylamino)-2-oxoethyl]-dimethylazaniumyl]hexyl]-dimethylazanium (CID 24833322) is [2-(diethylamino)-2-oxoethyl]-[6-[[2-(diethylamino)-2-oxoethyl]-dimethylazaniumyl]hexyl]-dimethylazanium.
What is the SMILES notation for [2-(diethylamino)-2-oxoethyl]-[6-[[2-(diethylamino)-2-oxoethyl]-dimethylazaniumyl]hexyl]-dimethylazanium?
The canonical SMILES for [2-(diethylamino)-2-oxoethyl]-[6-[[2-(diethylamino)-2-oxoethyl]-dimethylazaniumyl]hexyl]-dimethylazanium is CCN(CC)C(=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(=O)N(CC)CC.
What is the InChIKey of [2-(diethylamino)-2-oxoethyl]-[6-[[2-(diethylamino)-2-oxoethyl]-dimethylazaniumyl]hexyl]-dimethylazanium?
The InChIKey is CQQRZSNBENVVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48N4O2/c1-9-23(10-2)21(27)19-25(5,6)17-15-13-14-16-18-26(7,8)20-22(28)24(11-3)12-4/h9-20H2,1-8H3/q+2.
What are the key properties of [2-(diethylamino)-2-oxoethyl]-[6-[[2-(diethylamino)-2-oxoethyl]-dimethylazaniumyl]hexyl]-dimethylazanium?
[2-(diethylamino)-2-oxoethyl]-[6-[[2-(diethylamino)-2-oxoethyl]-dimethylazaniumyl]hexyl]-dimethylazanium has a molecular weight of 400.65 g/mol, XLogP of 2.44, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-2-oxoethyl]-[6-[[2-(diethylamino)-2-oxoethyl]-dimethylazaniumyl]hexyl]-dimethylazanium is sourced from PubChem (CID 24833322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).