Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02409"
| Predicate | Value (sorted: none) |
|---|---|
| rdfs:label |
"(1r,4s)-2-Azabornane"
|
| owl:sameAs | |
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.
Piperidines
Organic Compounds
Heterocyclic Compounds
Piperidines
Pyrrolidines
Polyamines
Dialkylamines
pyrrolidine
secondary aliphatic amine
polyamine
secondary amine
amine
organonitrogen compound
logP
2.06
ALOGPS
logS
-1.5
ALOGPS
Water Solubility
4.38e+00 g/l
ALOGPS
logP
1.63
ChemAxon
IUPAC Name
(1S,4R)-1,7,7-trimethyl-2-azabicyclo[2.2.1]heptane
ChemAxon
Traditional IUPAC Name
(1r,4s)-2-azabornane
ChemAxon
Molecular Weight
139.238
ChemAxon
Monoisotopic Weight
139.136099549
ChemAxon
SMILES
CC1(C)[C@H]2CC[C@]1(C)NC2
ChemAxon
Molecular Formula
C9H17N
ChemAxon
InChI
InChI=1S/C9H17N/c1-8(2)7-4-5-9(8,3)10-6-7/h7,10H,4-6H2,1-3H3/t7-,9-/m0/s1
ChemAxon
InChIKey
InChIKey=OLTRGBMOWPXXIG-CBAPKCEASA-N
ChemAxon
Polar Surface Area (PSA)
12.03
ChemAxon
Refractivity
42.75
ChemAxon
Polarizability
17.02
ChemAxon
Rotatable Bond Count
0
ChemAxon
H Bond Acceptor Count
1
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest basic)
11.35
ChemAxon
Physiological Charge
1
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
46936374
PubChem Substance
46509082
ChemSpider
3668001
PDB
2BN
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object