acetic acid;N-ethyl-N-methylethanamine

C7H17NO2 — CID 71326185

IUPACacetic acid;N-ethyl-N-methylethanamine
SMILESCC(=O)O.CCN(C)CC
InChIInChI=1S/C5H13N.C2H4O2/c1-4-6(3)5-2;1-2(3)4/h4-5H2,1-3H3;1H3,(H,3,4)
InChIKeyJCJGVEIHVMUYGF-UHFFFAOYSA-N
MW147.22 g/mol
LogP1.05
Rot. Bonds2

About acetic acid;N-ethyl-N-methylethanamine

acetic acid;N-ethyl-N-methylethanamine (PubChem CID 71326185) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is acetic acid;N-ethyl-N-methylethanamine.

Molecular Properties

Compound Nameacetic acid;N-ethyl-N-methylethanamine
PubChem CID71326185
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Nameacetic acid;N-ethyl-N-methylethanamine
SMILESCC(=O)O.CCN(C)CC
InChIInChI=1S/C5H13N.C2H4O2/c1-4-6(3)5-2;1-2(3)4/h4-5H2,1-3H3;1H3,(H,3,4)
InChIKeyJCJGVEIHVMUYGF-UHFFFAOYSA-N
XLogP1.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetic acid;N-ethyl-N-methylethanamine?
The IUPAC name of acetic acid;N-ethyl-N-methylethanamine (CID 71326185) is acetic acid;N-ethyl-N-methylethanamine.
What is the SMILES notation for acetic acid;N-ethyl-N-methylethanamine?
The canonical SMILES for acetic acid;N-ethyl-N-methylethanamine is CC(=O)O.CCN(C)CC.
What is the InChIKey of acetic acid;N-ethyl-N-methylethanamine?
The InChIKey is JCJGVEIHVMUYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N.C2H4O2/c1-4-6(3)5-2;1-2(3)4/h4-5H2,1-3H3;1H3,(H,3,4).
What are the key properties of acetic acid;N-ethyl-N-methylethanamine?
acetic acid;N-ethyl-N-methylethanamine has a molecular weight of 147.22 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-ethyl-N-methylethanamine is sourced from PubChem (CID 71326185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).