2-(propoxymethoxy)ethanamine;1-(propoxymethoxy)propane;hydroiodide

C13H32INO4 — CID 158068690

IUPAC2-(propoxymethoxy)ethanamine;1-(propoxymethoxy)propane;hydroiodide
SMILESCCCOCOCCC.CCCOCOCCN.I
InChIInChI=1S/C7H16O2.C6H15NO2.HI/c1-3-5-8-7-9-6-4-2;1-2-4-8-6-9-5-3-7;/h3-7H2,1-2H3;2-7H2,1H3;1H
InChIKeyJUJCZRGSGBYHCO-UHFFFAOYSA-N
MW393.31 g/mol
LogP2.76
Rot. Bonds12

About 2-(propoxymethoxy)ethanamine;1-(propoxymethoxy)propane;hydroiodide

2-(propoxymethoxy)ethanamine;1-(propoxymethoxy)propane;hydroiodide (PubChem CID 158068690) has the molecular formula C13H32INO4 and a molecular weight of 393.31 g/mol. Its IUPAC name is 2-(propoxymethoxy)ethanamine;1-(propoxymethoxy)propane;hydroiodide.

Molecular Properties

Compound Name2-(propoxymethoxy)ethanamine;1-(propoxymethoxy)propane;hydroiodide
PubChem CID158068690
Molecular FormulaC13H32INO4
Molecular Weight393.31 g/mol
Exact Mass393.14
IUPAC Name2-(propoxymethoxy)ethanamine;1-(propoxymethoxy)propane;hydroiodide
SMILESCCCOCOCCC.CCCOCOCCN.I
InChIInChI=1S/C7H16O2.C6H15NO2.HI/c1-3-5-8-7-9-6-4-2;1-2-4-8-6-9-5-3-7;/h3-7H2,1-2H3;2-7H2,1H3;1H
InChIKeyJUJCZRGSGBYHCO-UHFFFAOYSA-N
XLogP2.76
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-(propoxymethoxy)propan-1-amine
CID 87914264
molecular hydrogen;2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 169185868
2-(2-methoxyethoxymethoxy)ethanamine
CID 19350391
1,3-bis(propoxymethoxy)propane;methane
CID 164971527
2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethanamine
CID 156719251
2-(methylaminomethoxymethoxy)ethanamine
CID 159254192
4-(4-propoxybutoxy)butan-1-amine
CID 87914116
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;3-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 160630926
3-(propylperoxymethoxy)propan-1-amine
CID 170060757
2-(2-aminoethoxy)ethanamine;azane
CID 87273439
propane;2-(2-propoxyethoxy)ethanamine;bis(2-(2-propoxyethoxy)ethanethiol);tris(2-(2-propoxyethoxy)ethanol)
CID 157407774
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 86291503

Frequently Asked Questions

What is the IUPAC name of 2-(propoxymethoxy)ethanamine;1-(propoxymethoxy)propane;hydroiodide?
The IUPAC name of 2-(propoxymethoxy)ethanamine;1-(propoxymethoxy)propane;hydroiodide (CID 158068690) is 2-(propoxymethoxy)ethanamine;1-(propoxymethoxy)propane;hydroiodide.
What is the SMILES notation for 2-(propoxymethoxy)ethanamine;1-(propoxymethoxy)propane;hydroiodide?
The canonical SMILES for 2-(propoxymethoxy)ethanamine;1-(propoxymethoxy)propane;hydroiodide is CCCOCOCCC.CCCOCOCCN.I.
What is the InChIKey of 2-(propoxymethoxy)ethanamine;1-(propoxymethoxy)propane;hydroiodide?
The InChIKey is JUJCZRGSGBYHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2.C6H15NO2.HI/c1-3-5-8-7-9-6-4-2;1-2-4-8-6-9-5-3-7;/h3-7H2,1-2H3;2-7H2,1H3;1H.
What are the key properties of 2-(propoxymethoxy)ethanamine;1-(propoxymethoxy)propane;hydroiodide?
2-(propoxymethoxy)ethanamine;1-(propoxymethoxy)propane;hydroiodide has a molecular weight of 393.31 g/mol, XLogP of 2.76, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propoxymethoxy)ethanamine;1-(propoxymethoxy)propane;hydroiodide is sourced from PubChem (CID 158068690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).