3-[2-[bis[2-(3-oxopropoxy)ethyl]amino]ethoxy]propanal

C15H27NO6 — CID 139446928

IUPAC3-[2-[bis[2-(3-oxopropoxy)ethyl]amino]ethoxy]propanal
SMILESO=CCCOCCN(CCOCCC=O)CCOCCC=O
InChIInChI=1S/C15H27NO6/c17-7-1-10-20-13-4-16(5-14-21-11-2-8-18)6-15-22-12-3-9-19/h7-9H,1-6,10-15H2
InChIKeyIFLUXXVNSIEVHT-UHFFFAOYSA-N
MW317.38 g/mol
LogP0.11
Rot. Bonds18

About 3-[2-[bis[2-(3-oxopropoxy)ethyl]amino]ethoxy]propanal

3-[2-[bis[2-(3-oxopropoxy)ethyl]amino]ethoxy]propanal (PubChem CID 139446928) has the molecular formula C15H27NO6 and a molecular weight of 317.38 g/mol. Its IUPAC name is 3-[2-[bis[2-(3-oxopropoxy)ethyl]amino]ethoxy]propanal.

Molecular Properties

Compound Name3-[2-[bis[2-(3-oxopropoxy)ethyl]amino]ethoxy]propanal
PubChem CID139446928
Molecular FormulaC15H27NO6
Molecular Weight317.38 g/mol
Exact Mass317.18
IUPAC Name3-[2-[bis[2-(3-oxopropoxy)ethyl]amino]ethoxy]propanal
SMILESO=CCCOCCN(CCOCCC=O)CCOCCC=O
InChIInChI=1S/C15H27NO6/c17-7-1-10-20-13-4-16(5-14-21-11-2-8-18)6-15-22-12-3-9-19/h7-9H,1-6,10-15H2
InChIKeyIFLUXXVNSIEVHT-UHFFFAOYSA-N
XLogP0.11
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-[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-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 153358497
3-[2-[2-[2-[2-[2-[2-[bis(2,3,4,6-tetrahydroxyhexyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 171541647
3-[bis(3-oxopropyl)amino]propanal
CID 89031167
3-(2-aminoethoxy)propanal;ethane;molecular hydrogen
CID 177180522
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-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]propanal
CID 122674478
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-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 142541939
3-(3-silylpropoxy)propanal
CID 174928401
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
3-[2-(2-butoxyethoxy)ethoxy]propanal
CID 158726364

Frequently Asked Questions

What is the IUPAC name of 3-[2-[bis[2-(3-oxopropoxy)ethyl]amino]ethoxy]propanal?
The IUPAC name of 3-[2-[bis[2-(3-oxopropoxy)ethyl]amino]ethoxy]propanal (CID 139446928) is 3-[2-[bis[2-(3-oxopropoxy)ethyl]amino]ethoxy]propanal.
What is the SMILES notation for 3-[2-[bis[2-(3-oxopropoxy)ethyl]amino]ethoxy]propanal?
The canonical SMILES for 3-[2-[bis[2-(3-oxopropoxy)ethyl]amino]ethoxy]propanal is O=CCCOCCN(CCOCCC=O)CCOCCC=O.
What is the InChIKey of 3-[2-[bis[2-(3-oxopropoxy)ethyl]amino]ethoxy]propanal?
The InChIKey is IFLUXXVNSIEVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO6/c17-7-1-10-20-13-4-16(5-14-21-11-2-8-18)6-15-22-12-3-9-19/h7-9H,1-6,10-15H2.
What are the key properties of 3-[2-[bis[2-(3-oxopropoxy)ethyl]amino]ethoxy]propanal?
3-[2-[bis[2-(3-oxopropoxy)ethyl]amino]ethoxy]propanal has a molecular weight of 317.38 g/mol, XLogP of 0.11, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[bis[2-(3-oxopropoxy)ethyl]amino]ethoxy]propanal is sourced from PubChem (CID 139446928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).