IUPAC name
dimethyl(2-methyl-3-{tricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl}propyl)amine
SMILES
CC(CC1C2=CC=CC=C2CCC2=CC=CC=C12)CN(C)C
Compound class
Nervous System; Antidepressants; Psychoanaleptics; Non-Selective Monoamine Reuptake Inhibitors;
Therapeutic area
Common name
Butriptyline
IUPAC name
dimethyl(2-methyl-3-{tricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl}propyl)amine
SMILES
CC(CC1C2=CC=CC=C2CCC2=CC=CC=C12)CN(C)C
INCHI
InChI=1S/C21H27N/c1-16(15-22(2)3)14-21-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)21/h4-11,16,21H,12-15H2,1-3H3
FORMULA
C21H27N
Common name
Butriptyline
IUPAC name
dimethyl(2-methyl-3-{tricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl}propyl)amine
Molecular weight
293.446
clogP
4.971
clogS
-5.651
HBond Acceptor
1
HBond Donor
0
Total Polar Surface Area
3.24
Number of Rings
3
Rotatable Bond
4
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00012 | isobutane |
|
C(C)(C)C | 0.0611 |
| FDBF00064 | N,N-dimethylmethanamine |
|
N(C)(C)C | 0.0371 |
| FDBF00066 | N-methylmethanamine |
|
N(C)C | 0.0914 |
| FDBF00377 | N,N-dimethylpropan-1-amine |
|
N(C)(C)CCC | 0.0113 |
| FDBF01196 | N,N,2-trimethylpropan-1-amine |
|
CN(CC(C)C)C | 0.0024 |
6 ,
1
