1.0 2010-04-08 22:14:08 UTC 2019-11-26 03:17:06 UTC FDB019097 1,18-Diamino-5,9,14-triazaoctadecane Isolated from Canavalia gladiata (sword bean). 1,18-Diamino-5,9,14-triazaoctadecane is found in pulses. 1,18-Diamino-5,9,14-triazaoctadecane N'-(4-Aminobutyl)canavalmine C15H37N5 287.4878 287.304896209 (4-aminobutyl)[4-({3-[(4-aminobutyl)amino]propyl}amino)butyl]amine (4-aminobutyl)[4-({3-[(4-aminobutyl)amino]propyl}amino)butyl]amine 129225-32-7 NCCCCNCCCCNCCCNCCCCN InChI=1S/C15H37N5/c16-8-1-3-10-18-12-5-6-13-20-15-7-14-19-11-4-2-9-17/h18-20H,1-17H2 ITSJFETYKWFREV-UHFFFAOYSA-N belongs to the class of organic compounds known as dialkylamines. These are organic compounds containing a dialkylamine group, characterized by two alkyl groups bonded to the amino nitrogen. Dialkylamines Organic compounds Organic nitrogen compounds Organonitrogen compounds Amines Aliphatic acyclic compounds Hydrocarbon derivatives Monoalkylamines Organopnictogen compounds Aliphatic acyclic compound Hydrocarbon derivative Organopnictogen compound Primary aliphatic amine Primary amine Secondary aliphatic amine logp 0.33 ALOGPS logs -3.51 ALOGPS solubility 8.80e-02 g/l ALOGPS logp -0.72 ChemAxon pka_strongest_basic 11.26 ChemAxon iupac (4-aminobutyl)[4-({3-[(4-aminobutyl)amino]propyl}amino)butyl]amine ChemAxon average_mass 287.4878 ChemAxon mono_mass 287.304896209 ChemAxon smiles NCCCCNCCCCNCCCNCCCCN ChemAxon formula C15H37N5 ChemAxon inchi InChI=1S/C15H37N5/c16-8-1-3-10-18-12-5-6-13-20-15-7-14-19-11-4-2-9-17/h18-20H,1-17H2 ChemAxon inchikey ITSJFETYKWFREV-UHFFFAOYSA-N ChemAxon polar_surface_area 88.13 ChemAxon refractivity 89.44 ChemAxon polarizability 38.91 ChemAxon rotatable_bond_count 17 ChemAxon acceptor_count 5 ChemAxon donor_count 5 ChemAxon physiological_charge 5 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20627 Specdb::CMs 146703 Specdb::NmrOneD 33422 Specdb::NmrOneD 33423 Specdb::NmrOneD 33424 Specdb::NmrOneD 33425 Specdb::NmrOneD 33426 Specdb::NmrOneD 33427 Specdb::NmrOneD 33428 Specdb::NmrOneD 33429 Specdb::NmrOneD 33430 Specdb::NmrOneD 33431 Specdb::NmrOneD 33432 Specdb::NmrOneD 33433 Specdb::NmrOneD 33434 Specdb::NmrOneD 33435 Specdb::NmrOneD 33436 Specdb::NmrOneD 33437 Specdb::NmrOneD 33438 Specdb::NmrOneD 33439 Specdb::NmrOneD 33440 Specdb::NmrOneD 33441 Specdb::MsMs 10580 Specdb::MsMs 10581 Specdb::MsMs 10582 Specdb::MsMs 17252 Specdb::MsMs 17253 Specdb::MsMs 17254 Specdb::MsMs 2832984 Specdb::MsMs 2832985 Specdb::MsMs 2832986 Specdb::MsMs 2849117 Specdb::MsMs 2849118 Specdb::MsMs 2849119 HMDB39491 #<Reference:0x000055ce31848cf8> Pulses Unknown generic