Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04504"
| Predicate | Value (sorted: none) |
|---|---|
| rdfs:label |
"(3s)-2,3,4,5-Tetrahydropyridin-3-Amine"
|
| rdf:type | |
| owl:sameAs | |
| ns1:description |
"
experimental
This compound belongs to the tetrahydropyridines. These are derivatives of pyridine in which two double bonds in the pyridine moiety are reduced by adding four hydrogen atoms.
Tetrahydropyridines
Organic Compounds
Heterocyclic Compounds
Pyridines and Derivatives
Hydropyridines
Polyamines
Monoalkylamines
polyamine
primary amine
primary aliphatic amine
amine
organonitrogen compound
logP
-0.25
ALOGPS
logS
-0.82
ALOGPS
Water Solubility
1.48e+01 g/l
ALOGPS
logP
-0.66
ChemAxon
IUPAC Name
(3S)-2,3,4,5-tetrahydropyridin-3-amine
ChemAxon
Traditional IUPAC Name
(3S)-2,3,4,5-tetrahydropyridin-3-amine
ChemAxon
Molecular Weight
98.1463
ChemAxon
Monoisotopic Weight
98.08439833
ChemAxon
SMILES
N[C@H]1CCC=NC1
ChemAxon
Molecular Formula
C5H10N2
ChemAxon
InChI
InChI=1S/C5H10N2/c6-5-2-1-3-7-4-5/h3,5H,1-2,4,6H2/t5-/m0/s1
ChemAxon
InChIKey
InChIKey=SEECZTVWJNGUEJ-YFKPBYRVSA-N
ChemAxon
Polar Surface Area (PSA)
38.38
ChemAxon
Refractivity
29.19
ChemAxon
Polarizability
10.97
ChemAxon
Rotatable Bond Count
0
ChemAxon
H Bond Acceptor Count
2
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest basic)
9.71
ChemAxon
Physiological Charge
2
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
21145267
PubChem Substance
46509089
ChemSpider
2643794
PDB
XBB
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object