Molecule

1,16-Diamino-4,8,13-triazahexadecane

AlkaPlorer ID: AK055241

Synonym: N-(3-Aminopropyl)-N'-[3-[(3-aminopropyl)amino]propyl]-1,4-butanediamine, 1,5,9,14,18-Pentaaazaoctadecane, Thermopentamine, PA3343

IUPAC Name: N-(3-aminopropyl)-N'-[3-(3-aminopropylamino)propyl]butane-1,4-diamine

SMILES: NCCCNCCCCNCCCNCCCN

InChI: InChI=1S/C13H33N5/c14-6-3-10-16-8-1-2-9-17-12-5-13-18-11-4-7-15/h16-18H,1-15H2

InChIKey: RXOMMWRZPQYBPT-UHFFFAOYSA-N

PubChem CID: 13633911

LOTUS: LTS0078567

COCONUT: CNP0350564

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NPAtlas: NPA003877

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Bacillus	Bacillidae	Phasmatodea	Insecta	Arthropoda	Metazoa	Eukaryota
Thermomicrobium roseum	Thermomicrobium	Thermomicrobiaceae	Thermomicrobiales	Thermomicrobia	Thermomicrobiota	None	Bacteria
Agelenopsis aperta	Agelenopsis	Agelenidae	Araneae	Arachnida	Arthropoda	Metazoa	Eukaryota
None	Hydrogenobacter	Aquificaceae	Aquificales	Aquificae	Aquificota	None	Bacteria
Thermus thermophilus	Thermus	Thermaceae	Thermales	Deinococci	Deinococcota	None	Bacteria

Molecule Weight: 259.44199999999995

TPSA？: 88.13

MolLogP？: -0.3768999999999964

Number of H-Donors: 5

Number of H-Acceptors: 5

RingCount: 0

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

AKRT ID	Reaction	Reaction Link ID
AKRT014494	C[S+](CCCN)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.NCCCNCCCCNCCCN>>NCCCNCCCCNCCCNCCCN	enzymemap_40000