1-[3-[4-(3-Guanidinopropylamino)butylamino]propyl]guanidine
Basic information
- CAS
69358-08-3- Standard SMILES
NC(N)=NCCCNCCCCNCCCN=C(N)N- InChIKey
CYSWYEPQUKYBPE-UHFFFAOYSA-N- Molecular formula
- C12H30N8
- Average molar mass
- 286.42 g/mol
- Monoisotopic mass
- 286.25934299
Names & identifiers
- Preferred name
- 1-[3-[4-(3-Guanidinopropylamino)butylamino]propyl]guanidine
- IUPAC
- 2-[3-[4-[3-(diaminomethylideneamino)propylamino]butylamino]propyl]guanidine
Names & synonyms
Spermine GuanideDTXSID702194451,1'-[Butane-1,4-diylbis(iminopropane-3,1-diyl)]diguanidine1-[3-[4-(3-guanidinopropylamino)butylamino]propyl]guanidineN'',N'''-[Butane-1,4-diylbis(azanediylpropane-3,1-diyl)]diguanidine
Database identifiers
- CAS
69358-08-3- PubChem CID
- 154398
- DTXSID
DTXSID70219445
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 241
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Compound notes
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