3-[2-amino-2-(3-oxopropoxymethyl)-3-propoxypropoxy]propanal

C13H25NO5 — CID 88956294

IUPAC3-[2-amino-2-(3-oxopropoxymethyl)-3-propoxypropoxy]propanal
SMILESCCCOCC(N)(COCCC=O)COCCC=O
InChIInChI=1S/C13H25NO5/c1-2-7-17-10-13(14,11-18-8-3-5-15)12-19-9-4-6-16/h5-6H,2-4,7-12,14H2,1H3
InChIKeyAONXBMFDRIJQLR-UHFFFAOYSA-N
MW275.34 g/mol
LogP0.32
Rot. Bonds14

About 3-[2-amino-2-(3-oxopropoxymethyl)-3-propoxypropoxy]propanal

3-[2-amino-2-(3-oxopropoxymethyl)-3-propoxypropoxy]propanal (PubChem CID 88956294) has the molecular formula C13H25NO5 and a molecular weight of 275.34 g/mol. Its IUPAC name is 3-[2-amino-2-(3-oxopropoxymethyl)-3-propoxypropoxy]propanal.

Molecular Properties

Compound Name3-[2-amino-2-(3-oxopropoxymethyl)-3-propoxypropoxy]propanal
PubChem CID88956294
Molecular FormulaC13H25NO5
Molecular Weight275.34 g/mol
Exact Mass275.17
IUPAC Name3-[2-amino-2-(3-oxopropoxymethyl)-3-propoxypropoxy]propanal
SMILESCCCOCC(N)(COCCC=O)COCCC=O
InChIInChI=1S/C13H25NO5/c1-2-7-17-10-13(14,11-18-8-3-5-15)12-19-9-4-6-16/h5-6H,2-4,7-12,14H2,1H3
InChIKeyAONXBMFDRIJQLR-UHFFFAOYSA-N
XLogP0.32
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 118348553
4-[2-amino-3-(4-oxobutoxy)-2-(4-oxobutoxymethyl)propoxy]butanal
CID 88956265
3-[2-(2-butoxyethoxy)ethoxy]propanal
CID 158726364
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
3-heptoxypropanal
CID 59708059
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 145435287
3-(2,2-dimethylbut-3-ynoxy)propanal
CID 142452671
3-(2-aminoethoxy)propanal;ethane;molecular hydrogen
CID 177180522
3-[2,2-bis(2-carboxyethoxymethyl)-3-(3-oxopropoxy)propoxy]propanoic acid;methanamine
CID 156637660
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 145435331
2-methyl-2-(methylamino)-3-(2-propoxyethoxy)propanamide
CID 63684948
3-[2-(3-methylbutoxy)ethoxy]propanal
CID 122463238

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-2-(3-oxopropoxymethyl)-3-propoxypropoxy]propanal?
The IUPAC name of 3-[2-amino-2-(3-oxopropoxymethyl)-3-propoxypropoxy]propanal (CID 88956294) is 3-[2-amino-2-(3-oxopropoxymethyl)-3-propoxypropoxy]propanal.
What is the SMILES notation for 3-[2-amino-2-(3-oxopropoxymethyl)-3-propoxypropoxy]propanal?
The canonical SMILES for 3-[2-amino-2-(3-oxopropoxymethyl)-3-propoxypropoxy]propanal is CCCOCC(N)(COCCC=O)COCCC=O.
What is the InChIKey of 3-[2-amino-2-(3-oxopropoxymethyl)-3-propoxypropoxy]propanal?
The InChIKey is AONXBMFDRIJQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO5/c1-2-7-17-10-13(14,11-18-8-3-5-15)12-19-9-4-6-16/h5-6H,2-4,7-12,14H2,1H3.
What are the key properties of 3-[2-amino-2-(3-oxopropoxymethyl)-3-propoxypropoxy]propanal?
3-[2-amino-2-(3-oxopropoxymethyl)-3-propoxypropoxy]propanal has a molecular weight of 275.34 g/mol, XLogP of 0.32, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-2-(3-oxopropoxymethyl)-3-propoxypropoxy]propanal is sourced from PubChem (CID 88956294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).