Lupanine, monohydrochloride, hydrate
C₁₅H₂₅ClN₂O·284.820 g/mol·CID 121314
IUPAC: (1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;hydrochloride
Also known as: RefChem:1088595, Lupanine hydrochloride, 1025-39-4, Lupanine (hydrochloride), Chlorowodorek lupaniny [Polish] (+9 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
284.820g/mol
Exact Mass
284.165541Da
Monoisotopic Mass
284.165541Da
XLogP
—
Polar Surface Area
23.6Ų
Complexity
356
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
2
Rotatable Bonds
0
Heavy Atoms
19
Stereo Centers
4
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 284.8 g/mol
MW ≤ 500
? —
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 2
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Warning
Hazards
H302Harmful if swallowed
Source: PubChem GHS Classification. Always consult the SDS for handling.
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C15H24N2O.ClH/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11;/h11-14H,1-10H2;1H/t11-,12-,13-,14+;/m0./s1
Isomers8 compounds with formula C₁₅H₂₅ClN₂O
2-(diethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 2843496 · 284.8 g/mol
1-[3-(2,5-dimethylphenoxy)propyl]piperazine;hydrochloride
CID 2943585 · 284.8 g/mol
diethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium chloride
CID 13932 · 284.8 g/mol
1-[1-[2-(dimethylamino)ethyl]-3-methyl-4,5,6,7-tetrahydroindol-2-yl]ethanone;hydrochloride
CID 6463628 · 284.8 g/mol
[2-(2,6-dimethylanilino)-2-oxoethyl]-diethyl-methylazanium chloride
CID 168867 · 284.8 g/mol
2-(tert-butylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 2827834 · 284.8 g/mol
N-benzyl-2-(dipropylamino)acetamide;hydrochloride
CID 3055382 · 284.8 g/mol
3-[butyl(methyl)amino]-N-(4-methylphenyl)propanamide;hydrochloride
CID 2900542 · 284.8 g/mol