Ispronicline
C₁₄H₂₂N₂O·234.340 g/mol·CID 9824145
IUPAC: (E,2S)-N-methyl-5-(5-propan-2-yloxy-3-pyridinyl)pent-4-en-2-amine
Also known as: 252870-53-4, AZD3480, TC-1734, AZD-3480, Isproniclina (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
234.340g/mol
Exact Mass
234.173213Da
Monoisotopic Mass
234.173213Da
XLogP
2.5
Polar Surface Area
34.2Ų
Complexity
228
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
3
Rotatable Bonds
6
Heavy Atoms
17
Stereo Centers
1
Bond Stereo
1
Drug-Likeness (Lipinski's Rule of Five)
✓ 234.3 g/mol
MW ≤ 500
✓ 2.5
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 3
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C14H22N2O/c1-11(2)17-14-8-13(9-16-10-14)7-5-6-12(3)15-4/h5,7-12,15H,6H2,1-4H3/b7-5+/t12-/m0/s1
Isomers8 compounds with formula C₁₄H₂₂N₂O
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide
CID 3676 · 234.3 g/mol
(1S,2R,9S,10S)-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 12306807 · 234.3 g/mol
1-(2-methoxyphenyl)-4-propylpiperazine
CID 410747 · 234.3 g/mol
3-(diethylamino)-N-phenylbutanamide
CID 26329 · 234.3 g/mol
1-(2-butoxyphenyl)piperazine
CID 14479837 · 234.3 g/mol
3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-propylpyridine
CID 44318740 · 234.3 g/mol
1-(4-methoxyphenyl)-4-propylpiperazine
CID 12854846 · 234.3 g/mol
2-(diethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 28447 · 234.3 g/mol