acetic acid;N-ethylethanamine;methanol;hydrate

C7H21NO4 — CID 159655795

IUPACacetic acid;N-ethylethanamine;methanol;hydrate
SMILESCC(=O)O.CCNCC.CO.O
InChIInChI=1S/C4H11N.C2H4O2.CH4O.H2O/c1-3-5-4-2;1-2(3)4;1-2;/h5H,3-4H2,1-2H3;1H3,(H,3,4);2H,1H3;1H2
InChIKeyHEYAJGXFZPKEQG-UHFFFAOYSA-N
MW183.25 g/mol
LogP-0.51
Rot. Bonds2

About acetic acid;N-ethylethanamine;methanol;hydrate

acetic acid;N-ethylethanamine;methanol;hydrate (PubChem CID 159655795) has the molecular formula C7H21NO4 and a molecular weight of 183.25 g/mol. Its IUPAC name is acetic acid;N-ethylethanamine;methanol;hydrate.

Molecular Properties

Compound Nameacetic acid;N-ethylethanamine;methanol;hydrate
PubChem CID159655795
Molecular FormulaC7H21NO4
Molecular Weight183.25 g/mol
Exact Mass183.15
IUPAC Nameacetic acid;N-ethylethanamine;methanol;hydrate
SMILESCC(=O)O.CCNCC.CO.O
InChIInChI=1S/C4H11N.C2H4O2.CH4O.H2O/c1-3-5-4-2;1-2(3)4;1-2;/h5H,3-4H2,1-2H3;1H3,(H,3,4);2H,1H3;1H2
InChIKeyHEYAJGXFZPKEQG-UHFFFAOYSA-N
XLogP-0.51
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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sodium;ethane;N-ethylethanamine;propanedioic acid
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N-(1,2-13C2)ethyl(1,2-13C2)ethanamine
CID 71309791
acetic acid;methanol
CID 173388753
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CID 162111021
acetic acid;N'-[2-[2-(ethylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 22253788
butanoic acid;ethanol;N-ethylethanamine;propan-2-one
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N-ethylethanamine;nonanedioic acid
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Frequently Asked Questions

What is the IUPAC name of acetic acid;N-ethylethanamine;methanol;hydrate?
The IUPAC name of acetic acid;N-ethylethanamine;methanol;hydrate (CID 159655795) is acetic acid;N-ethylethanamine;methanol;hydrate.
What is the SMILES notation for acetic acid;N-ethylethanamine;methanol;hydrate?
The canonical SMILES for acetic acid;N-ethylethanamine;methanol;hydrate is CC(=O)O.CCNCC.CO.O.
What is the InChIKey of acetic acid;N-ethylethanamine;methanol;hydrate?
The InChIKey is HEYAJGXFZPKEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C2H4O2.CH4O.H2O/c1-3-5-4-2;1-2(3)4;1-2;/h5H,3-4H2,1-2H3;1H3,(H,3,4);2H,1H3;1H2.
What are the key properties of acetic acid;N-ethylethanamine;methanol;hydrate?
acetic acid;N-ethylethanamine;methanol;hydrate has a molecular weight of 183.25 g/mol, XLogP of -0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-ethylethanamine;methanol;hydrate is sourced from PubChem (CID 159655795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).