4,8,12,16-Tetraazanonadecane-1,19-diamine

AlkaPlorer ID: AK084713

Synonym: 1,5,9,13,17,21-Hexaazaheneicosane, Caldohexamine

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

Structure

SMILES: NCCCNCCCNCCCNCCCNCCCN

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InChI: InChI=1S/C15H38N6/c16-6-1-8-18-10-3-12-20-14-5-15-21-13-4-11-19-9-2-7-17/h18-21H,1-17H2

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InChIKey: UJMCAHHGTKIXAU-UHFFFAOYSA-N

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Source

Properties Information

Molecule Weight: 302.5110000000001

TPSA: 100.16

MolLogP: -0.7872999999999952

Number of H-Donors: 6

Number of H-Acceptors: 6

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT014500 C[S+](CCCN)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.NCCCNCCCNCCCNCCCN>>NCCCNCCCNCCCNCCCNCCCN enzymemap_39986