2-[2-(diethylamino)ethoxy]ethyl-[2-(diethylamino)ethyl]-diethylazanium

C18H42N3O+ — CID 18347182

IUPAC2-[2-(diethylamino)ethoxy]ethyl-[2-(diethylamino)ethyl]-diethylazanium
SMILESCCN(CC)CCOCC[N+](CC)(CC)CCN(CC)CC
InChIInChI=1S/C18H42N3O/c1-7-19(8-2)13-15-21(11-5,12-6)16-18-22-17-14-20(9-3)10-4/h7-18H2,1-6H3/q+1
InChIKeyMQKGMCHBNJIDNC-UHFFFAOYSA-N
MW316.55 g/mol
LogP2.54
Rot. Bonds15

About 2-[2-(diethylamino)ethoxy]ethyl-[2-(diethylamino)ethyl]-diethylazanium

2-[2-(diethylamino)ethoxy]ethyl-[2-(diethylamino)ethyl]-diethylazanium (PubChem CID 18347182) has the molecular formula C18H42N3O+ and a molecular weight of 316.55 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethoxy]ethyl-[2-(diethylamino)ethyl]-diethylazanium.

Molecular Properties

Compound Name2-[2-(diethylamino)ethoxy]ethyl-[2-(diethylamino)ethyl]-diethylazanium
PubChem CID18347182
Molecular FormulaC18H42N3O+
Molecular Weight316.55 g/mol
Exact Mass316.33
IUPAC Name2-[2-(diethylamino)ethoxy]ethyl-[2-(diethylamino)ethyl]-diethylazanium
SMILESCCN(CC)CCOCC[N+](CC)(CC)CCN(CC)CC
InChIInChI=1S/C18H42N3O/c1-7-19(8-2)13-15-21(11-5,12-6)16-18-22-17-14-20(9-3)10-4/h7-18H2,1-6H3/q+1
InChIKeyMQKGMCHBNJIDNC-UHFFFAOYSA-N
XLogP2.54
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.55
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Bis(dimethylaminoethyl) ether
CID 18204
N-(2-Dimethylaminoethyl)morpholine
CID 78091
N,N,2,8-Tetramethyl-5,11-dioxa-2,8-diazatridecan-13-amine
CID 71370740
Triethylamine, 2,2'''-oxydiethylenedioxydi-
CID 3047078
Ammonium, N,N,N'-triethyl-N,N',N'-trimethyl-N,N'-oxydiethylenedi-, dibromide
CID 45646
Ammonium, N,N-dimethyl-N,N',N'N'-tetraethyl-N,N'-oxydiethylenedi-, diiodide
CID 45752
Ammonium, N,N-dimethyl-N,N',N',N'-tetraethyl-N,N'-oxydiethylenedi-, dibromide
CID 45804
Ammonium, oxydiethylenebis(triethyl-, dibromide
CID 46913
Ammonium, N-methyl-N,N,N',N',N'-pentaethyl-N,N'-oxydiethylenedi-, dibromide
CID 46933
1,4,7-Oxadiazonine-4,7-diethanamine, hexahydro-N,N,N',N'-tetraethyl-
CID 13148195
2-[2-[2-[Diethyl(methyl)azaniumyl]ethoxy]ethoxy]ethyl-diethyl-methylazanium
CID 60329
2,2'-Oxybis(N,N-diethylethanamine)
CID 283323

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethoxy]ethyl-[2-(diethylamino)ethyl]-diethylazanium?
The IUPAC name of 2-[2-(diethylamino)ethoxy]ethyl-[2-(diethylamino)ethyl]-diethylazanium (CID 18347182) is 2-[2-(diethylamino)ethoxy]ethyl-[2-(diethylamino)ethyl]-diethylazanium.
What is the SMILES notation for 2-[2-(diethylamino)ethoxy]ethyl-[2-(diethylamino)ethyl]-diethylazanium?
The canonical SMILES for 2-[2-(diethylamino)ethoxy]ethyl-[2-(diethylamino)ethyl]-diethylazanium is CCN(CC)CCOCC[N+](CC)(CC)CCN(CC)CC.
What is the InChIKey of 2-[2-(diethylamino)ethoxy]ethyl-[2-(diethylamino)ethyl]-diethylazanium?
The InChIKey is MQKGMCHBNJIDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42N3O/c1-7-19(8-2)13-15-21(11-5,12-6)16-18-22-17-14-20(9-3)10-4/h7-18H2,1-6H3/q+1.
What are the key properties of 2-[2-(diethylamino)ethoxy]ethyl-[2-(diethylamino)ethyl]-diethylazanium?
2-[2-(diethylamino)ethoxy]ethyl-[2-(diethylamino)ethyl]-diethylazanium has a molecular weight of 316.55 g/mol, XLogP of 2.54, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethoxy]ethyl-[2-(diethylamino)ethyl]-diethylazanium is sourced from PubChem (CID 18347182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).