Molecule

N-(3-Aminopropyl)-1,5-pentanediamine

AlkaPlorer ID: AK038903

Synonym: N-(3-Aminopropyl)cadaverine, 1,9-Diamino-4-azanonane, 1,5,11-Triazaundecane, as-Homospermidine

IUPAC Name: N'-(3-aminopropyl)pentane-1,5-diamine

SMILES: NCCCCCNCCCN

InChI: InChI=1S/C8H21N3/c9-5-2-1-3-7-11-8-4-6-10/h11H,1-10H2

InChIKey: QZBYOYPROVGOGE-UHFFFAOYSA-N

PubChem CID: 65523

CAS: 56-19-9

LOTUS: LTS0252731

NPASS: NPC320889

COCONUT: CNP0335308

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Hydrogenobacter halophilus	Hydrogenobacter	Aquificaceae	Aquificales	Aquificae	Aquificota	None	Bacteria

Molecule Weight: 159.277

TPSA？: 64.07

MolLogP？: 0.0538000000000008

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 0

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
None	Unchecked	Ki	8030.0	nM	10.1021/jm020598g

AKRT ID	Reaction	Reaction Link ID
AKRT014475	C[S+](CCCN)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.NCCCCCN>>NCCCCCNCCCN	RXN0-5217
AKRT017957	NCCCCCNCCCN.N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O>>NCCCCCNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(=O)O	R08354