Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB01802"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"(4r)-7aza-7,8-Dihydrolimonene"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the tertiary amines. These are amines having the nitrogen atom linked to exactly three hydrocarbyl groups.
Tertiary Amines
Organic Compounds
Organonitrogen Compounds
Amines
Tertiary Amines
Polyamines
polyamine
logP
2.09
ALOGPS
logS
-0.27
ALOGPS
Water Solubility
7.44e+01 g/l
ALOGPS
logP
1.87
ChemAxon
IUPAC Name
(1R)-N,N,4-trimethylcyclohex-3-en-1-amine
ChemAxon
Traditional IUPAC Name
(1R)-N,N,4-trimethylcyclohex-3-en-1-amine
ChemAxon
Molecular Weight
139.238
ChemAxon
Monoisotopic Weight
139.136099549
ChemAxon
SMILES
CN(C)[C@@H]1CCC(C)=CC1
ChemAxon
Molecular Formula
C9H17N
ChemAxon
InChI
InChI=1S/C9H17N/c1-8-4-6-9(7-5-8)10(2)3/h4,9H,5-7H2,1-3H3/t9-/m0/s1
ChemAxon
InChIKey
InChIKey=LDFVYCXKPXXSNO-VIFPVBQESA-N
ChemAxon
Polar Surface Area (PSA)
3.24
ChemAxon
Refractivity
46.4
ChemAxon
Polarizability
17.7
ChemAxon
Rotatable Bond Count
1
ChemAxon
H Bond Acceptor Count
1
ChemAxon
H Bond Donor Count
0
ChemAxon
pKa (strongest basic)
10.16
ChemAxon
Physiological Charge
1
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
447259
PubChem Substance
46506180
ChemSpider
3668975
PDB
7A8
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object