17696-89-8
C₆H₁₄N₄O₂·174.200 g/mol·CID 296132
IUPAC: 3-(dimethylcarbamoylamino)-1,1-dimethylurea
Also known as: N1,N1,N2,N2-Tetramethylhydrazine-1,2-dicarboxamide, 1-[(DIMETHYLCARBAMOYL)AMINO]-3,3-DIMETHYLUREA, N~1~,N~1~,N~2~,N~2~-Tetramethylhydrazine-1,2-dicarboxamide, 3-(dimethylcarbamoylamino)-1,1-dimethylurea, 1,2-bis(N,N-dimethylcarbamoyl)hydrazine (+13 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
174.200g/mol
Exact Mass
174.111676Da
Monoisotopic Mass
174.111676Da
XLogP
-0.9
Polar Surface Area
64.7Ų
Complexity
158
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
2
Rotatable Bonds
0
Heavy Atoms
12
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 174.2 g/mol
MW ≤ 500
✓ -0.9
LogP ≤ 5
✓ 2
H-bond donors ≤ 5
✓ 2
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C6H14N4O2/c1-9(2)5(11)7-8-6(12)10(3)4/h1-4H3,(H,7,11)(H,8,12)
Isomers8 compounds with formula C₆H₁₄N₄O₂
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 6322 · 174.2 g/mol
2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 232 · 174.2 g/mol
(2R)-2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 71070 · 174.2 g/mol
(2S)-2-amino-5-(diaminomethylideneazaniumyl)pentanoate
CID 28782 · 174.2 g/mol
[1-(carbamoylamino)-2-methylpropyl]urea
CID 22478 · 174.2 g/mol
hexanedihydrazide
CID 66117 · 174.2 g/mol
N-ethyl-N-[2-[ethyl(nitroso)amino]ethyl]nitrous amide
CID 23772 · 174.2 g/mol
2-amino-5-(diaminomethylideneazaniumyl)pentanoate
CID 5246487 · 174.2 g/mol