IUPAC name
dodecylguanidine monoacetate
SMILES
CCCCCCCCCCCCNC(=N)N.CC(=O)O
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
dodine
IUPAC name
dodecylguanidine monoacetate
SMILES
CCCCCCCCCCCCNC(=N)N.CC(=O)O
INCHI
InChI=1S/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)
FORMULA
C15H33N3O2
Common name
dodine
IUPAC name
dodecylguanidine monoacetate
Molecular weight
227.389
clogP
3.105
clogS
-4.513
HBond Acceptor
0
HBond Donor
4
Total Polar Surface Area
61.9
Number of Rings
0
Rotatable Bond
12
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00001 | methanimidamide |
|
N=CN | 0.0062 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00025 | propan-1-amine |
|
CCCN | 0.0292 |
| FDBF00030 | butan-1-amine |
|
C(CCN)C | 0.0106 |
| FDBF00036 | pentan-1-amine |
|
CCCCCN | 0.0045 |
| FDBF00040 | ethanamine |
|
CCN | 0.0677 |
| FDBF00067 | butane |
|
CCCC | 0.0680 |
| FDBF00081 | pentane |
|
CCCCC | 0.0316 |
| FDBF00086 | hexane |
|
CCCCCC | 0.0151 |
9 ,
1
