N,N'-dimethyl biguanide
C₄H₁₁N₅·129.160 g/mol·CID 54558175
IUPAC: 1-(diaminomethylidene)-2,3-dimethylguanidine
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
129.160g/mol
Exact Mass
129.101445Da
Monoisotopic Mass
129.101445Da
XLogP
-1.4
Polar Surface Area
88.8Ų
Complexity
132
Formal Charge
0
H-Bond Donors
3
H-Bond Acceptors
1
Rotatable Bonds
2
Heavy Atoms
9
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 129.2 g/mol
MW ≤ 500
✓ -1.4
LogP ≤ 5
✓ 3
H-bond donors ≤ 5
✓ 1
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Isomers8 compounds with formula C₄H₁₁N₅
3-(diaminomethylidene)-1,1-dimethylguanidine
CID 4091 · 129.2 g/mol
2-carbamimidoyl-1,1-dimethylguanidine
CID 155906370 · 129.2 g/mol
2-carbamimidoyl-1,1-dimethylguanidine
CID 152743144 · 129.2 g/mol
3-(diaminomethylidene)-1-methyl-1-(111C)methylguanidine
CID 73388104 · 128.2 g/mol
1-(diaminomethylidene)-2-ethylguanidine
CID 16446 · 129.2 g/mol
1-deuterio-1-(N'-deuteriocarbamimidoyl)-3-(deuteriomethyl)-3-methylguanidine
CID 91447464 · 132.2 g/mol
1-carbamimidoyl-1,2-dimethylguanidine
CID 3043660 · 129.2 g/mol
1,1,2,3-tetradeuterio-3-(N'-deuterio-N,N-dimethylcarbamimidoyl)guanidine
CID 138402679 · 134.2 g/mol