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Cadaverine

PubChem CID: 273

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Compound Synonyms Pentane-1,5-diamine, 1,5-Diaminopentane, cadaverine, 462-94-2, 1,5-pentanediamine, pentamethylenediamine, Cadaverin, 1,5-Pentamethylenediamine, Animal coniine, AI3-26937, 1,5-Diamino-n-pentane, BRN 1697256, UNII-L90BEN6OLL, L90BEN6OLL, EINECS 207-329-0, CHEBI:18127, HSDB 7866, CHEMBL119296, DTXSID5075448, EC 207-329-0, 4-04-00-01310 (Beilstein Handbook Reference), MFCD00008239, pentane, 1,5-diamino-, 1-BioDex, N2P, 1,5 Pentanediamine, Cadaverine, 95%, 1,5-diamino-pentane, BioDex 1-, 1,5-Amylene diamine, CADAVERINE [MI], 5-azaniumylpentylammonium, alpha,omega-Pentanediamine, bmse000072, SCHEMBL21367, Cadaverine, analytical standard, H2N(CH2)5NH2, SCHEMBL5495920, DTXCID9040479, BBL027704, BDBM50323741, GEO-00925, MSK000515, STL372961, AKOS005169829, Cadaverine, purum, >=97.0% (GC), CCG-266036, DB03854, FD00335, NCGC00166285-01, AS-30673, 1ST000515, DB-051367, NS00007504, EN300-84224, C01672, A827022, Q161555, InChI=1/C5H14N2/c6-4-2-1-3-5-7/h1-7H, Z951173830, 1948270A-6D1B-4F40-BC13-9B680ED17B17, 207-329-0, LB9
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 52.0
Hydrogen Bond Donor Count 2.0
Pfizer 3 75 Rule False
Np Classifier Class Acetate-derived alkaloids, Polyamines
Deep Smiles NCCCCCN
Heavy Atom Count 7.0
Classyfire Class Organonitrogen compounds
Classyfire Subclass Amines
Isotope Atom Count 0.0
Molecular Complexity 25.3
Database Name cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P19623, Q16853, O75106, P00915, P00918, P07451, P22748, P35218, Q9Y2D0, P23280, P43166, Q16790, O43570, Q9D6N1, Q9ULX7, Q99N23, Q9UBT6, P0DTD1, n.a.
Iupac Name pentane-1,5-diamine
Prediction Hob 1.0
Class Organonitrogen compounds
Veber Rule True
Classyfire Superclass Organic nitrogen compounds
Target Id NPT947, NPT233, NPT1146, NPT1062, NPT1143, NPT1144, NPT1063, NPT955, NPT948, NPT949, NPT954
Xlogp -0.6
Superclass Organic nitrogen compounds
Subclass Amines
Gsk 4 400 Rule True
Molecular Formula C5H14N2
Prediction Swissadme 0.0
Inchi Key VHRGRCVQAFMJIZ-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 1.0
Logs 1.114
Rotatable Bond Count 4.0
State Liquid
Logd -1.667
Synonyms 1,5-Diaminopentane, 1,5-Pentamethylenediamine, 1,5-Pentanediamine, DAPE, Pentamethylenediamine, PENTANE-1,5-diamine, 1,5-Diaminopentane dihydrochloride, Cadaverin, Cadaverine dihydrochloride, Pentamethylenediamine dihydrochloride, BioDex 1, 1,5 Pentanediamine, cadaverine
Esol Class Highly soluble
Functional Groups CN
Compound Name Cadaverine
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 102.116
Formal Charge 0.0
Monoisotopic Mass 102.116
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 102.18
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic acyclic compounds
Lipinski Rule Of 5 True
Esol 0.15587779999999996
Inchi InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2
Smiles C(CCN)CCN
Nring 0.0
Np Classifier Biosynthetic Pathway Alkaloids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Monoalkylamines
Np Classifier Superclass Pseudoalkaloids, Ornithine alkaloids

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  • 71. Outgoing r'ship FOUND_IN to/from Trifolium Dubium (Plant) Rel Props:Reference:
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  • 73. Outgoing r'ship FOUND_IN to/from Trifolium Fruticosa (Plant) Rel Props:Reference:
  • 74. Outgoing r'ship FOUND_IN to/from Trifolium Hybridum (Plant) Rel Props:Reference:
  • 75. Outgoing r'ship FOUND_IN to/from Trifolium Montanum (Plant) Rel Props:Reference:
  • 76. Outgoing r'ship FOUND_IN to/from Trifolium Pannonicum (Plant) Rel Props:Reference:
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  • 78. Outgoing r'ship FOUND_IN to/from Trifolium Pretense (Plant) Rel Props:Reference:
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  • 80. Outgoing r'ship FOUND_IN to/from Trifolium Resupinatum (Plant) Rel Props:Reference:
  • 81. Outgoing r'ship FOUND_IN to/from Trifolium Strepens (Plant) Rel Props:Reference:
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  • 83. Outgoing r'ship FOUND_IN to/from Triticum Sativum (Plant) Rel Props:Reference:
  • 84. Outgoing r'ship FOUND_IN to/from Uncaria Acida (Plant) Rel Props:Reference:
  • 85. Outgoing r'ship FOUND_IN to/from Uncaria Africana (Plant) Rel Props:Reference:
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