1.0 2020-03-10 16:59:03 UTC 2020-04-22 18:55:14 UTC BMDB0095970 BMDB95970 Dehydrospermidine N,C-Di(3-aminopropyl)-imine N-(4-Aminobutylidene)-N-(3-aminopropyl)amine Dehydrospermidine C7H17N3 143.23 143.142247559 (E)-(4-aminobutylidene)(3-aminopropyl)amine dehydrospermidine NCCC\C=N\CCCN InChI=1S/C7H17N3/c8-4-1-2-6-10-7-3-5-9/h6H,1-5,7-9H2/b10-6+ YAVLYBVKPXLZEQ-UXBLZVDNSA-N belongs to the class of organic compounds known as shiff bases. These are aldimines where the nitrogen atom of the aldimine group is linked to an alkyl or aryl group. Organic compounds Organic nitrogen compounds Organonitrogen compounds Imines Shiff bases Hydrocarbon derivatives Monoalkylamines Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Aliphatic acyclic compound Amine Hydrocarbon derivative Organic 1,3-dipolar compound Organopnictogen compound Primary aliphatic amine Primary amine Propargyl-type 1,3-dipolar organic compound Shiff base Aliphatic acyclic compounds imine logp -0.07 ALOGPS logs -1.88 ALOGPS logp -1.3 ChemAxon pka_strongest_basic 10.37 ChemAxon iupac (E)-(4-aminobutylidene)(3-aminopropyl)amine ChemAxon average_mass 143.23 ChemAxon mono_mass 143.142247559 ChemAxon smiles NCCC\C=N\CCCN ChemAxon formula C7H17N3 ChemAxon inchi InChI=1S/C7H17N3/c8-4-1-2-6-10-7-3-5-9/h6H,1-5,7-9H2/b10-6+ ChemAxon inchikey YAVLYBVKPXLZEQ-UXBLZVDNSA-N ChemAxon polar_surface_area 64.4 ChemAxon refractivity 44.3 ChemAxon polarizability 17.9 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 3 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsIr 2812 Specdb::MsIr 2813 Specdb::MsIr 2814 Specdb::MsMs 324097 Specdb::MsMs 324098 Specdb::MsMs 324099 Specdb::MsMs 372427 Specdb::MsMs 372428 Specdb::MsMs 372429 Specdb::MsMs 2364883 Specdb::MsMs 2364884 Specdb::MsMs 2364885 Specdb::MsMs 2597809 Specdb::MsMs 2597810 Specdb::MsMs 2597811 Specdb::NmrOneD 56722 Specdb::NmrOneD 56723 Specdb::NmrOneD 56724 Specdb::NmrOneD 56725 Specdb::NmrOneD 56726 Specdb::NmrOneD 56727 Specdb::NmrOneD 56728 Specdb::NmrOneD 56729 Specdb::NmrOneD 56730 Specdb::NmrOneD 56731 Specdb::NmrOneD 56732 Specdb::NmrOneD 56733 Specdb::NmrOneD 56734 Specdb::NmrOneD 56735 Specdb::NmrOneD 56736 Specdb::NmrOneD 56737 Specdb::NmrOneD 56738 Specdb::NmrOneD 56739 Specdb::NmrOneD 56740 Specdb::NmrOneD 56741 Specdb::NmrOneD 98058 Specdb::NmrOneD 98059 Specdb::NmrOneD 98060 Specdb::NmrOneD 98061 Specdb::NmrOneD 98062 Specdb::CMs 26220 Specdb::CMs 131842 Specdb::CMs 139576 Specdb::CMs 169522 FDB029209 C15853 21865491 48007