2-[2-(diethylamino)ethoxy]ethyl-[2-(diethylamino)ethyl]-diethylazanium;chloride;hydrochloride

C18H43Cl2N3O — CID 18347181

IUPAC2-[2-(diethylamino)ethoxy]ethyl-[2-(diethylamino)ethyl]-diethylazanium;chloride;hydrochloride
SMILESCCN(CC)CCOCC[N+](CC)(CC)CCN(CC)CC.Cl.[Cl-]
InChIInChI=1S/C18H42N3O.2ClH/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;2*1H/q+1;;/p-1
InChIKeyKIOFVLCFWOIASX-UHFFFAOYSA-M
MW388.47 g/mol
LogP-0.03
Rot. Bonds15

About 2-[2-(diethylamino)ethoxy]ethyl-[2-(diethylamino)ethyl]-diethylazanium;chloride;hydrochloride

2-[2-(diethylamino)ethoxy]ethyl-[2-(diethylamino)ethyl]-diethylazanium;chloride;hydrochloride (PubChem CID 18347181) has the molecular formula C18H43Cl2N3O and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethoxy]ethyl-[2-(diethylamino)ethyl]-diethylazanium;chloride;hydrochloride.

Molecular Properties

Compound Name2-[2-(diethylamino)ethoxy]ethyl-[2-(diethylamino)ethyl]-diethylazanium;chloride;hydrochloride
PubChem CID18347181
Molecular FormulaC18H43Cl2N3O
Molecular Weight388.47 g/mol
Exact Mass387.28
IUPAC Name2-[2-(diethylamino)ethoxy]ethyl-[2-(diethylamino)ethyl]-diethylazanium;chloride;hydrochloride
SMILESCCN(CC)CCOCC[N+](CC)(CC)CCN(CC)CC.Cl.[Cl-]
InChIInChI=1S/C18H42N3O.2ClH/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;2*1H/q+1;;/p-1
InChIKeyKIOFVLCFWOIASX-UHFFFAOYSA-M
XLogP-0.03
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 5-0.03
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethoxy]ethyl-[2-(diethylamino)ethyl]-diethylazanium;chloride;hydrochloride?
The IUPAC name of 2-[2-(diethylamino)ethoxy]ethyl-[2-(diethylamino)ethyl]-diethylazanium;chloride;hydrochloride (CID 18347181) is 2-[2-(diethylamino)ethoxy]ethyl-[2-(diethylamino)ethyl]-diethylazanium;chloride;hydrochloride.
What is the SMILES notation for 2-[2-(diethylamino)ethoxy]ethyl-[2-(diethylamino)ethyl]-diethylazanium;chloride;hydrochloride?
The canonical SMILES for 2-[2-(diethylamino)ethoxy]ethyl-[2-(diethylamino)ethyl]-diethylazanium;chloride;hydrochloride is CCN(CC)CCOCC[N+](CC)(CC)CCN(CC)CC.Cl.[Cl-].
What is the InChIKey of 2-[2-(diethylamino)ethoxy]ethyl-[2-(diethylamino)ethyl]-diethylazanium;chloride;hydrochloride?
The InChIKey is KIOFVLCFWOIASX-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H42N3O.2ClH/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;2*1H/q+1;;/p-1.
What are the key properties of 2-[2-(diethylamino)ethoxy]ethyl-[2-(diethylamino)ethyl]-diethylazanium;chloride;hydrochloride?
2-[2-(diethylamino)ethoxy]ethyl-[2-(diethylamino)ethyl]-diethylazanium;chloride;hydrochloride has a molecular weight of 388.47 g/mol, XLogP of -0.03, 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;chloride;hydrochloride is sourced from PubChem (CID 18347181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).