Molecule

4,8,12-Triazapentadecane-1,15-diamine

AlkaPlorer ID: AK045900

Synonym: N-(3-Aminopropyl)-N'-[3-[(3-aminopropyl)amino]propyl]-1,3-propanediamine, 1,15-Diamino-4,8,12-triazapentadecane, 1,5,9,13,17-Pentaazaheptadecane, Caldopentamine

IUPAC Name: N'-[3-[3-(3-aminopropylamino)propylamino]propyl]propane-1,3-diamine

Structure

SMILES: NCCCNCCCNCCCNCCCN

InChI: InChI=1S/C12H31N5/c13-5-1-7-15-9-3-11-17-12-4-10-16-8-2-6-14/h15-17H,1-14H2

InChIKey: BELZJFWUNQWBES-UHFFFAOYSA-N

Reference

Novel linear and branched polyamines in the extremely thermophilic eubacteria <i>Thermoleophilum, Bacillus</i> and <i>Hydrogenobacter</i>

PubChem CID: 83290

CAS: 13274-42-5

LOTUS: LTS0196875

NPASS: NPC317204

COCONUT: CNP0321557

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NPAtlas: NPA002652

Source

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
None	Thermus	Thermaceae	Thermales	Deinococci	Deinococcota	None	Bacteria

Properties Information

Molecule Weight: 245.415

TPSA？: 88.13

MolLogP？: -0.7669999999999964

Number of H-Donors: 5

Number of H-Acceptors: 5

RingCount: 0

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT014498	C[S+](CCCN)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.NCCCNCCCNCCCN>>NCCCNCCCNCCCNCCCN	RXN-15699
AKRT014499	C[S+](CCCN)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.NCCCNCCCNCCCNCCCN>>CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.NCCCNCCCNCCCNCCCNCCCN	None
AKRT014500	C[S+](CCCN)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.NCCCNCCCNCCCNCCCN>>NCCCNCCCNCCCNCCCNCCCN	enzymemap_39986