AG2
- Molecular formula
- C5 H14 N4
- Molecular weight (g/mol)
- 130.19
- Classification
- NATURAL_PRODUCT
Related PDB structures · 2
Names & identifiers
- IUPAC name
- AGMATINE
- SMILES
- C(CCNC(=N)N)CN
- Isomeric SMILES
- C(CCNC(=N)N)CN
- InChI
- InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)
- InChIKey
- QYPPJABKJHAVHS-UHFFFAOYSA-N
- CAS
- 306-60-5
Chemical & physical properties
- HBA
- 2
- HBD
- 4
- TPSA (Ų)
- 87.92
- cLogP
- -0.79
- Chiral atoms
- 0
- Molar refractivity
- 38.21
- Rings
- 0
- Aromatic rings
- 0
- Fraction Csp³
- 0.8
- Formal charge
- 0
Calculated properties
QED0.228
NPScore0.01986446
SAScore6.770467593