Metabolite Tropine

Name
Tropine
Description
Not Available
Structure
Similar Structures
Synonyms
.ALPHA.-TROPINE / 1.ALPHA.H,5.ALPHA.H-TROPAN-3.ALPHA.-OL / 2,3-DIHYDRO-3.ALPHA.-HYDROXYTROPIDINE / 3.ALPHA.-TROPANOL / 8-AZABICYCLO(3.2.1)OCTAN-3-OL, 8-METHYL-, (3-ENDO)- / 8-AZABICYCLO(3.2.1)OCTAN-3-OL, 8-METHYL-, ENDO- / Tropanol
External IDs
A-804485 / NSC-43870
UNII
7YXR19M72Y
CAS number
120-29-6
Weight
Average: 141.214
Monoisotopic: 141.115364107
Chemical Formula
C8H15NO
InChI Key
CYHOMWAPJJPNMW-JIGDXULJSA-N
InChI
InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8+
IUPAC Name
(1R,3R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
SMILES
CN1[C@H]2CC[C@@H]1C[C@H](O)C2
Reactions
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Human Metabolome Database
HMDB0014568
KEGG Compound
C02046
ChemSpider
10180559
BindingDB
50239982
ChEBI
15884
ChEMBL
CHEMBL1331216
ZINC
ZINC000100007346
PDBe Ligand
HYO
Wikipedia
Tropine
Predicted Properties
PropertyValueSource
logP0.034Chemaxon
pKa (Strongest Acidic)15.16Chemaxon
pKa (Strongest Basic)9.65Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area23.47 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity40.59 m3·mol-1Chemaxon
Polarizability16.04 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon