Molecule

N,N-Bis(3-aminopropyl)-1,4-butanediamine

AlkaPlorer ID: AK075052

Synonym: N4-(3-Aminopropyl)spermidine

IUPAC Name: N',N'-bis(3-aminopropyl)butane-1,4-diamine

SMILES: NCCCCN(CCCN)CCCN

InChI: InChI=1S/C10H26N4/c11-5-1-2-8-14(9-3-6-12)10-4-7-13/h1-13H2

InChIKey: CAARYRKDWMNHCB-UHFFFAOYSA-N

PubChem CID: 10420404

NPASS: NPC323738

COCONUT: CNP0205705

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
Thermoleophilum minutum	Thermoleophilum	Thermoleophilaceae	Thermoleophilales	Thermoleophilia	Actinomycetota	None	Bacteria

Molecule Weight: 202.34599999999995

TPSA？: 81.3

MolLogP？: -0.2750999999999973

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 0

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

AKRT ID	Reaction	Reaction Link ID
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
AKRT014482	C[S+](CCCN)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.NCCCCNCCCN>>NCCCCN(CCCN)CCCN	RXN-15864