2-[12-[2-(diethylamino)ethoxy]dodecoxy]-N,N-diethylethanamine;dihydrochloride

C24H54Cl2N2O2 — CID 24741721

IUPAC2-[12-[2-(diethylamino)ethoxy]dodecoxy]-N,N-diethylethanamine;dihydrochloride
SMILESCCN(CC)CCOCCCCCCCCCCCCOCCN(CC)CC.Cl.Cl
InChIInChI=1S/C24H52N2O2.2ClH/c1-5-25(6-2)19-23-27-21-17-15-13-11-9-10-12-14-16-18-22-28-24-20-26(7-3)8-4;;/h5-24H2,1-4H3;2*1H
InChIKeyWNBUDCCKFMFKRB-UHFFFAOYSA-N
MW473.61 g/mol
LogP6.45
Rot. Bonds23

About 2-[12-[2-(diethylamino)ethoxy]dodecoxy]-N,N-diethylethanamine;dihydrochloride

2-[12-[2-(diethylamino)ethoxy]dodecoxy]-N,N-diethylethanamine;dihydrochloride (PubChem CID 24741721) has the molecular formula C24H54Cl2N2O2 and a molecular weight of 473.61 g/mol. Its IUPAC name is 2-[12-[2-(diethylamino)ethoxy]dodecoxy]-N,N-diethylethanamine;dihydrochloride.

Molecular Properties

Compound Name2-[12-[2-(diethylamino)ethoxy]dodecoxy]-N,N-diethylethanamine;dihydrochloride
PubChem CID24741721
Molecular FormulaC24H54Cl2N2O2
Molecular Weight473.61 g/mol
Exact Mass472.36
IUPAC Name2-[12-[2-(diethylamino)ethoxy]dodecoxy]-N,N-diethylethanamine;dihydrochloride
SMILESCCN(CC)CCOCCCCCCCCCCCCOCCN(CC)CC.Cl.Cl
InChIInChI=1S/C24H52N2O2.2ClH/c1-5-25(6-2)19-23-27-21-17-15-13-11-9-10-12-14-16-18-22-28-24-20-26(7-3)8-4;;/h5-24H2,1-4H3;2*1H
InChIKeyWNBUDCCKFMFKRB-UHFFFAOYSA-N
XLogP6.45
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.61
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[12-[2-(diethylamino)ethoxy]dodecoxy]-N,N-diethylethanamine;dihydrochloride?
The IUPAC name of 2-[12-[2-(diethylamino)ethoxy]dodecoxy]-N,N-diethylethanamine;dihydrochloride (CID 24741721) is 2-[12-[2-(diethylamino)ethoxy]dodecoxy]-N,N-diethylethanamine;dihydrochloride.
What is the SMILES notation for 2-[12-[2-(diethylamino)ethoxy]dodecoxy]-N,N-diethylethanamine;dihydrochloride?
The canonical SMILES for 2-[12-[2-(diethylamino)ethoxy]dodecoxy]-N,N-diethylethanamine;dihydrochloride is CCN(CC)CCOCCCCCCCCCCCCOCCN(CC)CC.Cl.Cl.
What is the InChIKey of 2-[12-[2-(diethylamino)ethoxy]dodecoxy]-N,N-diethylethanamine;dihydrochloride?
The InChIKey is WNBUDCCKFMFKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52N2O2.2ClH/c1-5-25(6-2)19-23-27-21-17-15-13-11-9-10-12-14-16-18-22-28-24-20-26(7-3)8-4;;/h5-24H2,1-4H3;2*1H.
What are the key properties of 2-[12-[2-(diethylamino)ethoxy]dodecoxy]-N,N-diethylethanamine;dihydrochloride?
2-[12-[2-(diethylamino)ethoxy]dodecoxy]-N,N-diethylethanamine;dihydrochloride has a molecular weight of 473.61 g/mol, XLogP of 6.45, 23 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[12-[2-(diethylamino)ethoxy]dodecoxy]-N,N-diethylethanamine;dihydrochloride is sourced from PubChem (CID 24741721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).