IUPAC name
N-[2-[[2-(dodecylamino)ethyl]amino]ethyl]glycine
SMILES
CCCCCCCCCCCCNCCNCCNCC(=O)O
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
dodicin
IUPAC name
N-[2-[[2-(dodecylamino)ethyl]amino]ethyl]glycine
SMILES
CCCCCCCCCCCCNCCNCCNCC(=O)O
INCHI
InChI=1S/C18H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-14-20-15-16-21-17-18(22)23/h19-21H,2-17H2,1H3,(H,22,23)
FORMULA
C18H39N3O2
Common name
dodicin
IUPAC name
N-[2-[[2-(dodecylamino)ethyl]amino]ethyl]glycine
Molecular weight
329.521
clogP
3.931
clogS
-6.246
HBond Acceptor
2
HBond Donor
4
Total Polar Surface Area
73.39
Number of Rings
0
Rotatable Bond
19
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00025 | propan-1-amine |
|
CCCN | 0.0292 |
| FDBF00030 | butan-1-amine |
|
C(CCN)C | 0.0106 |
| FDBF00040 | ethanamine |
|
CCN | 0.0677 |
| FDBF00067 | butane |
|
CCCC | 0.0680 |
| FDBF00070 | N-ethylethanamine |
|
N(CC)CC | 0.0240 |
| FDBF00072 | N-methylbutan-1-amine |
|
N(CCCC)C | 0.0034 |
| FDBF00073 | N-ethylpropan-1-amine |
|
N(CCC)CC | 0.0086 |
| FDBF00081 | pentane |
|
CCCCC | 0.0316 |
20 ,
3
