TER

N-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)-1,4-DIAMINOBUTANE

Created: 1999-07-08
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count40
Chiral Atom Count0
Bond Count39
Aromatic Bond Count0
2D diagram of TER

Chemical Component Summary

NameN-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)-1,4-DIAMINOBUTANE
SynonymsTHERMOSPERMINE; PA(334)
Systematic Name (OpenEye OEToolkits)N-[3-(3-aminopropylamino)propyl]butane-1,4-diamine
FormulaC10 H26 N4
Molecular Weight202.34
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04N(CCCCN)CCCNCCCN
SMILESCACTVS3.341NCCCCNCCCNCCCN
SMILESOpenEye OEToolkits1.5.0C(CCNCCCNCCCN)CN
Canonical SMILESCACTVS3.341 NCCCCNCCCNCCCN
Canonical SMILESOpenEye OEToolkits1.5.0 C(CCNCCCNCCCN)CN
InChIInChI1.03 InChI=1S/C10H26N4/c11-5-1-2-7-13-9-4-10-14-8-3-6-12/h13-14H,1-12H2
InChIKeyInChI1.03 DODDBCGMRAFLEB-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 194365
ChEMBL CHEMBL151993
ChEBI CHEBI:59564