acetic acid;1-ethyl-3-methylimidazolidine

C8H18N2O2 — CID 162317080

IUPACacetic acid;1-ethyl-3-methylimidazolidine
SMILESCC(=O)O.CCN1CCN(C)C1
InChIInChI=1S/C6H14N2.C2H4O2/c1-3-8-5-4-7(2)6-8;1-2(3)4/h3-6H2,1-2H3;1H3,(H,3,4)
InChIKeyQEQHWBGIIQQMLO-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.30
Rot. Bonds1

About acetic acid;1-ethyl-3-methylimidazolidine

acetic acid;1-ethyl-3-methylimidazolidine (PubChem CID 162317080) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is acetic acid;1-ethyl-3-methylimidazolidine.

Molecular Properties

Compound Nameacetic acid;1-ethyl-3-methylimidazolidine
PubChem CID162317080
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Nameacetic acid;1-ethyl-3-methylimidazolidine
SMILESCC(=O)O.CCN1CCN(C)C1
InChIInChI=1S/C6H14N2.C2H4O2/c1-3-8-5-4-7(2)6-8;1-2(3)4/h3-6H2,1-2H3;1H3,(H,3,4)
InChIKeyQEQHWBGIIQQMLO-UHFFFAOYSA-N
XLogP0.30
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-methylimidazolidine;phosphane;bromide
CID 167699735
2-(4-ethyl-7-methyl-1,4,7-triazonan-1-yl)acetic acid
CID 159982673
2-[7-(carboxymethyl)-4-ethyl-10-methyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 137448382
1-ethyl-3-methyl-1,3-diazinane
CID 22044310
4-(4-ethylpiperazin-1-yl)butan-2-one
CID 20802873
1,4-dimethylpiperazine;1-ethyl-4-methylpiperazine
CID 160568928
2-(3-methylimidazolidin-1-yl)acetamide
CID 11299041
ethane;1-ethyl-4-methylpiperazine;methanethiol
CID 142272147
ethane;1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 170586549
2-[7-(carboxymethyl)-4,10-dimethyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;ethane
CID 169258644
6-(4-ethylpiperazin-1-yl)hexan-2-one
CID 43792758
ethane;1-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanone
CID 178104636

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-ethyl-3-methylimidazolidine?
The IUPAC name of acetic acid;1-ethyl-3-methylimidazolidine (CID 162317080) is acetic acid;1-ethyl-3-methylimidazolidine.
What is the SMILES notation for acetic acid;1-ethyl-3-methylimidazolidine?
The canonical SMILES for acetic acid;1-ethyl-3-methylimidazolidine is CC(=O)O.CCN1CCN(C)C1.
What is the InChIKey of acetic acid;1-ethyl-3-methylimidazolidine?
The InChIKey is QEQHWBGIIQQMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.C2H4O2/c1-3-8-5-4-7(2)6-8;1-2(3)4/h3-6H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;1-ethyl-3-methylimidazolidine?
acetic acid;1-ethyl-3-methylimidazolidine has a molecular weight of 174.24 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-ethyl-3-methylimidazolidine is sourced from PubChem (CID 162317080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).