Molecule

4-Amino-N,N,N-tris(3-aminopropyl)-1-butanaminium

AlkaPlorer ID: AK287683

Synonym: N4,N4-Bis(3-aminopropyl)spermidine

IUPAC Name: 4-aminobutyl-tris(3-aminopropyl)azanium

SMILES: NCCCC[N+](CCCN)(CCCN)CCCN

InChI: InChI=1S/C13H34N5/c14-6-1-2-10-18(11-3-7-15,12-4-8-16)13-5-9-17/h1-17H2/q+1

InChIKey: FMTAVYOBEGHWPT-UHFFFAOYSA-N

PubChem CID: 10266536

CAS: 143085-76-1

LOTUS: LTS0025776

NPASS: NPC327980

{

NPAtlas: NPA014463

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Thermoleophilum album	Thermoleophilum	Thermoleophilaceae	Thermoleophilales	Thermoleophilia	Actinomycetota	None	Bacteria
Hydrogenobacter thermophilus	Hydrogenobacter	Aquificaceae	Aquificales	Aquificae	Aquificota	None	Bacteria
None	Hydrogenobacter	Aquificaceae	Aquificales	Aquificae	Aquificota	None	Bacteria
Thermoleophilum minutum	Thermoleophilum	Thermoleophilaceae	Thermoleophilales	Thermoleophilia	Actinomycetota	None	Bacteria
Hydrogenobacter halophilus	Hydrogenobacter	Aquificaceae	Aquificales	Aquificae	Aquificota	None	Bacteria

Molecule Weight: 260.44999999999993

TPSA？: 104.08

MolLogP？: -0.4114999999999961

Number of H-Donors: 4

Number of H-Acceptors: 4

RingCount: 0

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

AKRT ID	Reaction	Reaction Link ID
AKRT014471	C[S+](CCCN)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.C[S+](CCCN)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.NCCCCNCCCN>>NCCCC[N+](CCCN)(CCCN)CCCN	RXN-15866
AKRT014476	C[S+](CCCN)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.NCCCCN(CCCN)CCCN>>NCCCC[N+](CCCN)(CCCN)CCCN	RXN-15865