1.0 2016-05-19 03:21:13 UTC 2026-08-21 20:20:45 UTC Cyclohexanamine, 4,4'-methylenebis[N-(1-methylpropyl)- SmallMolecule Cyclohexanamine, 4,4'-methylenebis[N-(1-methylpropyl)- is an organic nitrogen compound with the chemical formula $\text{C}_{21}\text{H}_{42}\text{N}_2$ and an average molecular weight of 322.58 g/mol. Cyclohexanamine, 4,4'-methylenebis[N-(1-methylpropyl)- belongs to the cyclohexylamines, a subclass of organonitrogen compounds within the organic compounds. The compound has been identified in or released from 19 recorded sources. These include various types of drinking water and water supplies, such as bottled water, tap water, drinking water, and desalinated water. It is also present in aquatic systems and sediments, including freshwater, seawater, surface water, and groundwater. Within the sector of wastewater, sanitation, and biosolids, it is found in wastewater, mine wastewater, industrial wastewater, and wastewater treatment effluent. Additionally, it is associated with appliances, HVAC, and refrigerants, specifically water heaters and water coolers. The compound is further recorded in marine, shipping, and aquaculture sources, including bilge water and ballast water, as well as in agriculture and land management via irrigation water, along with two other sectors. Human exposure to this compound can occur through oral, inhalation, and touch routes. PMT 4,4'-methylenebis(N-sec-butylcyclohexamine) C21H42N2 322.581 322.33479936 N-(butan-2-yl)-4-({4-[(butan-2-yl)amino]cyclohexyl}methyl)cyclohexan-1-amine N-(sec-butyl)-4-{[4-(sec-butylamino)cyclohexyl]methyl}cyclohexan-1-amine 154279-60-4 CCC(C)NC1CCC(CC2CCC(CC2)NC(C)CC)CC1 InChI=1S/C21H42N2/c1-5-16(3)22-20-11-7-18(8-12-20)15-19-9-13-21(14-10-19)23-17(4)6-2/h16-23H,5-15H2,1-4H3 PICLBAFTFYTURY-UHFFFAOYSA-N Organic compounds Organic nitrogen compounds Organonitrogen compounds Cyclohexylamines Cyclohexylamines Dialkylamines Hydrocarbon derivatives Organopnictogen compounds Aliphatic homomonocyclic compound Amine Cyclohexylamine Hydrocarbon derivative Organopnictogen compound Secondary aliphatic amine Secondary amine Aliphatic homomonocyclic compounds Detected and Not Quantified logp 5.6 logp 5.92 ALOGPS logs -5.87 ALOGPS solubility 4.33e-04 g/l ALOGPS logp 5.47 ChemAxon pka_strongest_basic 11.31 ChemAxon iupac N-(butan-2-yl)-4-({4-[(butan-2-yl)amino]cyclohexyl}methyl)cyclohexan-1-amine ChemAxon average_mass 322.581 ChemAxon mono_mass 322.33479936 ChemAxon smiles CCC(C)NC1CCC(CC2CCC(CC2)NC(C)CC)CC1 ChemAxon formula C21H42N2 ChemAxon inchi InChI=1S/C21H42N2/c1-5-16(3)22-20-11-7-18(8-12-20)15-19-9-13-21(14-10-19)23-17(4)6-2/h16-23H,5-15H2,1-4H3 ChemAxon inchikey PICLBAFTFYTURY-UHFFFAOYSA-N ChemAxon polar_surface_area 24.06 ChemAxon refractivity 101.49 ChemAxon polarizability 43.22 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 2 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7276da3488> 21885336 10633153