Basic information
- CAS
56-19-9- Standard SMILES
NCCCCCNCCCN- InChIKey
QZBYOYPROVGOGE-UHFFFAOYSA-N- Molecular formula
- C8H21N3
- Average molar mass
- 159.27 g/mol
- Monoisotopic mass
- 159.17354768
Overview
Aminopropylcadaverine is a polyazaalkane that is the 1,4,11-triaza derivative of undecane. It has a role as an Escherichia coli metabolite. It is a triamine and a polyazaalkane. It is a conjugate base of an aminopropylcadaverine(3+).
Names & identifiers
- Preferred name
- (3-Aminopropyl)cadaverine
- IUPAC
- N'-(3-aminopropyl)pentane-1,5-diamine
- English name
- N-(3-aminopropyl)cadaverine
- Molecular formula
- C8H21N3
- Molecular weight
- 159.27
Names & synonyms
Aminopropylcadaverine56-19-93-ApcadN-(3-Aminopropyl)cadaverine(5-aminopentyl)(3-aminopropyl)amineN-3-aminopropyl-1,5-diaminopentaneCHEBI:64860DTXSID40204565RefChem:905930(3-Aminopropyl)cadaverineDTXCID70127056N-(3-aminopropyl)-1,5-Pentanediamine
Show more names
aminopropyl diaminopentane1,5-Pentanediamine, N1-(3-aminopropyl)-
N1-(3-Aminopropyl)pentane-1,5-diamine1,5-Pentanediamine, N-(3-aminopropyl)-N'-(3-aminopropyl)pentane-1,5-diamineCHEMBL89035SCHEMBL561079N-(3-aminopropyl)pentane-1,5-diamineN~1~-(3-Aminopropyl)pentane-1,5-diamineQ27133504
Database identifiers
- CAS
56-19-9- PubChem CID
- 65523
- DTXSID
DTXSID40204565- ChEMBL
CHEMBL89035- ChEBI
CHEBI:64860- Nikkaji
- J575.711H
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 66.4
Experimental & physicochemical properties
Physical DescriptionSolid
Chemistry & industry
Additional notes
DefinitionChEBI: A polyazaalkane that is the 1,4,11-triaza derivative of undecane.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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