1.0 2010-04-08 22:14:08 UTC 2019-11-26 03:17:06 UTC FDB019098 1,17-Diamino-4,9,13-triazaheptadecane Isolated from Canavalia gladiata (sword bean). 1,17-Diamino-4,9,13-triazaheptadecane is found in pulses. 1,17-Diamino-4,9,13-triazaheptadecane N'-(3-Aminopropyl)canavalmine C14H35N5 273.4612 273.289246145 (4-aminobutyl)[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]amine (4-aminobutyl)[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]amine 129225-31-6 NCCCCNCCCNCCCCNCCCN InChI=1S/C14H35N5/c15-7-1-2-9-18-13-6-14-19-11-4-3-10-17-12-5-8-16/h17-19H,1-16H2 WLHDGVSIMKQJQP-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 -0.02 ALOGPS logs -3.23 ALOGPS solubility 1.61e-01 g/l ALOGPS logp -1.2 ChemAxon pka_strongest_basic 11.24 ChemAxon iupac (4-aminobutyl)[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]amine ChemAxon average_mass 273.4612 ChemAxon mono_mass 273.289246145 ChemAxon smiles NCCCCNCCCNCCCCNCCCN ChemAxon formula C14H35N5 ChemAxon inchi InChI=1S/C14H35N5/c15-7-1-2-9-18-13-6-14-19-11-4-3-10-17-12-5-8-16/h17-19H,1-16H2 ChemAxon inchikey WLHDGVSIMKQJQP-UHFFFAOYSA-N ChemAxon polar_surface_area 88.13 ChemAxon refractivity 84.79 ChemAxon polarizability 36.36 ChemAxon rotatable_bond_count 16 ChemAxon acceptor_count 5 ChemAxon donor_count 5 ChemAxon physiological_charge 5 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21493 Specdb::CMs 153725 Specdb::NmrOneD 33442 Specdb::NmrOneD 33443 Specdb::NmrOneD 33444 Specdb::NmrOneD 33445 Specdb::NmrOneD 33446 Specdb::NmrOneD 33447 Specdb::NmrOneD 33448 Specdb::NmrOneD 33449 Specdb::NmrOneD 33450 Specdb::NmrOneD 33451 Specdb::NmrOneD 33452 Specdb::NmrOneD 33453 Specdb::NmrOneD 33454 Specdb::NmrOneD 33455 Specdb::NmrOneD 33456 Specdb::NmrOneD 33457 Specdb::NmrOneD 33458 Specdb::NmrOneD 33459 Specdb::NmrOneD 33460 Specdb::NmrOneD 33461 Specdb::MsMs 53145 Specdb::MsMs 53146 Specdb::MsMs 53147 Specdb::MsMs 148707 Specdb::MsMs 148708 Specdb::MsMs 148709 Specdb::MsMs 2408087 Specdb::MsMs 2408088 Specdb::MsMs 2408089 Specdb::MsMs 2553796 Specdb::MsMs 2553797 Specdb::MsMs 2553798 HMDB39492 #<Reference:0x000055ce30674d38> Pulses Unknown generic