precursor

Showing entry for Cadaverine

Identification

PhytoHub ID
PHUB000774
Name
Cadaverine
Systematic Name
Not Available
Synonyms
  • Animal coniine
  • Pentamethylenediamine
  • Pentane-1,5-diamine
CAS Number
Not Available
Average Mass
102.181
Monoisotopic Mass
102.115698459
Chemical Formula
C5H14N2
IUPAC Name
pentane-1,5-diamine
InChI Key
VHRGRCVQAFMJIZ-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2
SMILES
NCCCCCN
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
8.91e+01 g/l
LogS (ALOGPS)
-0.06
LogP (ALOGPS)
-0.27
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
4
Polar Surface Area
52.04
Refractivity
31.979599999999998
Polarizability
13.112767429733221
Formal Charge
0
Physiological Charge
2
pKa (strongest basic)
10.506503804690274
pKa (strongest acidic)
Not Available
Number of Rings
0
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
N-containing compounds
Class
Amines
Sub-class
Not Available

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Organonitrogen compounds
Super-class
Organic nitrogen compounds
Sub-class
Amines
Direct Parent Name
Monoalkylamines
Alternative Parent Names
["Hydrocarbon derivatives", "Organopnictogen compounds"]
External Descriptor Annotations
["alkane-alpha,omega-diamine", "an aliphatic α,ω-diamine"]
Substituent Names
["Aliphatic acyclic compound", "Hydrocarbon derivative", "Organopnictogen compound", "Primary aliphatic amine"]

Spectra from Phytohub

Food Sources

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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