acetic acid;N,N-diethylethanamine;dihydrochloride

C8H21Cl2NO2 — CID 173065244

IUPACacetic acid;N,N-diethylethanamine;dihydrochloride
SMILESCC(=O)O.CCN(CC)CC.Cl.Cl
InChIInChI=1S/C6H15N.C2H4O2.2ClH/c1-4-7(5-2)6-3;1-2(3)4;;/h4-6H2,1-3H3;1H3,(H,3,4);2*1H
InChIKeyMEJMKQLFCODYPX-UHFFFAOYSA-N
MW234.17 g/mol
LogP2.28
Rot. Bonds3

About acetic acid;N,N-diethylethanamine;dihydrochloride

acetic acid;N,N-diethylethanamine;dihydrochloride (PubChem CID 173065244) has the molecular formula C8H21Cl2NO2 and a molecular weight of 234.17 g/mol. Its IUPAC name is acetic acid;N,N-diethylethanamine;dihydrochloride.

Molecular Properties

Compound Nameacetic acid;N,N-diethylethanamine;dihydrochloride
PubChem CID173065244
Molecular FormulaC8H21Cl2NO2
Molecular Weight234.17 g/mol
Exact Mass233.09
IUPAC Nameacetic acid;N,N-diethylethanamine;dihydrochloride
SMILESCC(=O)O.CCN(CC)CC.Cl.Cl
InChIInChI=1S/C6H15N.C2H4O2.2ClH/c1-4-7(5-2)6-3;1-2(3)4;;/h4-6H2,1-3H3;1H3,(H,3,4);2*1H
InChIKeyMEJMKQLFCODYPX-UHFFFAOYSA-N
XLogP2.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetic acid;N,N-diethylethanamine;dihydrochloride?
The IUPAC name of acetic acid;N,N-diethylethanamine;dihydrochloride (CID 173065244) is acetic acid;N,N-diethylethanamine;dihydrochloride.
What is the SMILES notation for acetic acid;N,N-diethylethanamine;dihydrochloride?
The canonical SMILES for acetic acid;N,N-diethylethanamine;dihydrochloride is CC(=O)O.CCN(CC)CC.Cl.Cl.
What is the InChIKey of acetic acid;N,N-diethylethanamine;dihydrochloride?
The InChIKey is MEJMKQLFCODYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C2H4O2.2ClH/c1-4-7(5-2)6-3;1-2(3)4;;/h4-6H2,1-3H3;1H3,(H,3,4);2*1H.
What are the key properties of acetic acid;N,N-diethylethanamine;dihydrochloride?
acetic acid;N,N-diethylethanamine;dihydrochloride has a molecular weight of 234.17 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N,N-diethylethanamine;dihydrochloride is sourced from PubChem (CID 173065244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).