Molecule

N1-Aminopropylagmatine

AlkaPlorer ID: AK056735

Synonym: None

IUPAC Name: 2-[4-(3-aminopropylamino)butyl]guanidine

SMILES: N=C(N)NCCCCNCCCN

InChI: InChI=1S/C8H21N5/c9-4-3-6-12-5-1-2-7-13-8(10)11/h12H,1-7,9H2,(H4,10,11,13)

InChIKey: XYCUJKFFVBCJEF-UHFFFAOYSA-N

PubChem CID: 541551

CAS: 15271-46-2

LOTUS: LTS0021052

COCONUT: CNP0191956

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NPAtlas: NPA004097

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Thermus thermophilus	Thermus	Thermaceae	Thermales	Deinococci	Deinococcota	None	Bacteria

Molecule Weight: 187.291

TPSA？: 99.95

MolLogP？: -0.8119299999999989

Number of H-Donors: 5

Number of H-Acceptors: 3

RingCount: 0

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

AKRT ID	Reaction	Reaction Link ID
AKRT014472	C[S+](CCCN)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.N=C(N)NCCCCN>>N=C(N)NCCCCNCCCN	RXN-12514
AKRT015909	N=C(N)NCCCCNCCCN>>NC(N)=O	RXN-12515
AKRT015910	N=C(N)NCCCCNCCCN>>NCCCCNCCCN	RXN-12515