acetic acid;2-methoxy-N,N-dimethylethanamine

C7H17NO3 — CID 173078438

IUPACacetic acid;2-methoxy-N,N-dimethylethanamine
SMILESCC(=O)O.COCCN(C)C
InChIInChI=1S/C5H13NO.C2H4O2/c1-6(2)4-5-7-3;1-2(3)4/h4-5H2,1-3H3;1H3,(H,3,4)
InChIKeyUKIIUZNAGYPIAF-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.29
Rot. Bonds3

About acetic acid;2-methoxy-N,N-dimethylethanamine

acetic acid;2-methoxy-N,N-dimethylethanamine (PubChem CID 173078438) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is acetic acid;2-methoxy-N,N-dimethylethanamine.

Molecular Properties

Compound Nameacetic acid;2-methoxy-N,N-dimethylethanamine
PubChem CID173078438
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Nameacetic acid;2-methoxy-N,N-dimethylethanamine
SMILESCC(=O)O.COCCN(C)C
InChIInChI=1S/C5H13NO.C2H4O2/c1-6(2)4-5-7-3;1-2(3)4/h4-5H2,1-3H3;1H3,(H,3,4)
InChIKeyUKIIUZNAGYPIAF-UHFFFAOYSA-N
XLogP0.29
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methanesulfonic acid;2-methoxy-N,N-dimethylethanamine
CID 174574685
acetic acid;2-methoxyethanethiol
CID 162333628
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CID 82330232
acetic acid;2-methoxyethyl hypochlorite
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3-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-3-oxopropanoic acid
CID 62229917
4-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-4-oxobutanoic acid
CID 54876287
acetic acid;azane;N,N-dimethylpropan-1-amine
CID 89442730
3-[2-methoxyethyl(methyl)amino]-3-oxopropanoic acid
CID 62230101
1-(dimethylamino)-6-methoxyhexan-3-one
CID 114854223
(Z)-but-2-enedioic acid;N,N-dimethyl-2-(propan-2-ylideneamino)oxyethanamine
CID 16641113
4-[bis(2-methoxyethyl)amino]butan-2-one
CID 60649279
acetic acid;3-methoxypropan-1-ol
CID 71363248

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-methoxy-N,N-dimethylethanamine?
The IUPAC name of acetic acid;2-methoxy-N,N-dimethylethanamine (CID 173078438) is acetic acid;2-methoxy-N,N-dimethylethanamine.
What is the SMILES notation for acetic acid;2-methoxy-N,N-dimethylethanamine?
The canonical SMILES for acetic acid;2-methoxy-N,N-dimethylethanamine is CC(=O)O.COCCN(C)C.
What is the InChIKey of acetic acid;2-methoxy-N,N-dimethylethanamine?
The InChIKey is UKIIUZNAGYPIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO.C2H4O2/c1-6(2)4-5-7-3;1-2(3)4/h4-5H2,1-3H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-methoxy-N,N-dimethylethanamine?
acetic acid;2-methoxy-N,N-dimethylethanamine has a molecular weight of 163.22 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-methoxy-N,N-dimethylethanamine is sourced from PubChem (CID 173078438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).