-
(10bR)-3-ethyl-5,10b-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H,10bH-cyclopenta[a]quinolizin-5-ium iodide
-
ChemBase ID:
200310
-
Molecular Formular:
C16H28IN
-
Molecular Mass:
361.30469
-
Monoisotopic Mass:
361.1266479
-
SMILES and InChIs
SMILES:
[N+]12([C@@](C3=C(CC2)CCC3)(CCC(C1)CC)C)C.[I-]
Canonical SMILES:
CCC1CC[C@]2([N+](C1)(C)CCC1=C2CCC1)C.[I-]
InChI:
InChI=1S/C16H28N.HI/c1-4-13-8-10-16(2)15-7-5-6-14(15)9-11-17(16,3)12-13;/h13H,4-12H2,1-3H3;1H/q+1;/p-1/t13?,16-,17?;/m1./s1
InChIKey:
RWWFMEUTPZYLKA-GTHMNASVSA-M
-
Cite this record
CBID:200310 http://www.chembase.cn/molecule-200310.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
(10bR)-3-ethyl-5,10b-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H,10bH-cyclopenta[a]quinolizin-5-ium iodide
|
|
|
IUPAC Traditional name
|
(10bR)-3-ethyl-5,10b-dimethyl-1H,2H,3H,4H,6H,7H,8H,9H,10H-cyclopenta[a]quinolizin-5-ium iodide
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
|
0
|
H Donor
|
0
|
LogD (pH = 5.5)
|
-0.8599985
|
LogD (pH = 7.4)
|
-0.8599985
|
Log P
|
-0.8599985
|
Molar Refractivity
|
85.8921 cm3
|
Polarizability
|
29.275398 Å3
|
Polar Surface Area
|
0.0 Å2
|
Rotatable Bonds
|
1
|
Lipinski's Rule of Five
|
true
|
PROPERTIES
PROPERTIES
Product Information
Bioassay(PubChem)
Salt Data
|
I-
|
Show
data source
|
|
Classification
|
Rare Derivatives of Natural Compounds
|
Show
data source
|
|
PATENTS
PATENTS
PubChem Patent
Google Patent