3-(2-aminoethoxy)propanal;ethane;molecular hydrogen

C7H19NO2 — CID 177180522

IUPAC3-(2-aminoethoxy)propanal;ethane;molecular hydrogen
SMILESCC.NCCOCCC=O.[H][H]
InChIInChI=1S/C5H11NO2.C2H6.H2/c6-2-5-8-4-1-3-7;1-2;/h3H,1-2,4-6H2;1-2H3;1H
InChIKeyLZUJFWLZBBUEFT-UHFFFAOYSA-N
MW149.23 g/mol
LogP0.82
Rot. Bonds5

About 3-(2-aminoethoxy)propanal;ethane;molecular hydrogen

3-(2-aminoethoxy)propanal;ethane;molecular hydrogen (PubChem CID 177180522) has the molecular formula C7H19NO2 and a molecular weight of 149.23 g/mol. Its IUPAC name is 3-(2-aminoethoxy)propanal;ethane;molecular hydrogen.

Molecular Properties

Compound Name3-(2-aminoethoxy)propanal;ethane;molecular hydrogen
PubChem CID177180522
Molecular FormulaC7H19NO2
Molecular Weight149.23 g/mol
Exact Mass149.14
IUPAC Name3-(2-aminoethoxy)propanal;ethane;molecular hydrogen
SMILESCC.NCCOCCC=O.[H][H]
InChIInChI=1S/C5H11NO2.C2H6.H2/c6-2-5-8-4-1-3-7;1-2;/h3H,1-2,4-6H2;1-2H3;1H
InChIKeyLZUJFWLZBBUEFT-UHFFFAOYSA-N
XLogP0.82
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.23
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 145435287
2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]acetaldehyde;ethane
CID 142368342
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;ethane;methanol;pyrrolidine-2,5-dione
CID 142619667
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 129055846
ethane;2-(2-ethoxyethoxy)ethanamine;molecular hydrogen
CID 142365421
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 118348553
3-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 153358497
3-[2-[bis[2-(3-oxopropoxy)ethyl]amino]ethoxy]propanal
CID 139446928
pentane-1,5-diamine;3-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]propanal
CID 144761105
ethane;tris(4-[2-(4-oxobutoxy)ethoxy]butanal)
CID 158890200
molecular hydrogen;2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 169185868
2-(2-ethoxyethoxy)ethanamine;molecular hydrogen
CID 142365297

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)propanal;ethane;molecular hydrogen?
The IUPAC name of 3-(2-aminoethoxy)propanal;ethane;molecular hydrogen (CID 177180522) is 3-(2-aminoethoxy)propanal;ethane;molecular hydrogen.
What is the SMILES notation for 3-(2-aminoethoxy)propanal;ethane;molecular hydrogen?
The canonical SMILES for 3-(2-aminoethoxy)propanal;ethane;molecular hydrogen is CC.NCCOCCC=O.[H][H].
What is the InChIKey of 3-(2-aminoethoxy)propanal;ethane;molecular hydrogen?
The InChIKey is LZUJFWLZBBUEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.C2H6.H2/c6-2-5-8-4-1-3-7;1-2;/h3H,1-2,4-6H2;1-2H3;1H.
What are the key properties of 3-(2-aminoethoxy)propanal;ethane;molecular hydrogen?
3-(2-aminoethoxy)propanal;ethane;molecular hydrogen has a molecular weight of 149.23 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)propanal;ethane;molecular hydrogen is sourced from PubChem (CID 177180522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).