1-Butanamine, 3-methyl-N,N-bis(3-methylbutyl)- (CED0177813)

Record Information
Version1.0
Creation Date2026-04-04 10:05:06 UTC
Update Date2026-08-19 13:16:25 UTC
Accession NumberCHEM073430
Identification
Common Name1-Butanamine, 3-methyl-N,N-bis(3-methylbutyl)-
ClassSmall Molecule
Description
1-Butanamine, 3-methyl-N,N-bis(3-methylbutyl)- belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. It has the chemical formula C15H33N1 and an average molecular weight of 227.44 g/mol. This substance is classified as an organic nitrogen compound.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC15H33N1
Average Molecular Mass227.436 g/mol
Monoisotopic Mass227.261 g/mol
CAS Registry Number645-41-0
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC(C)CCN(CCC(C)C)CCC(C)C
InChI IdentifierInChI=1S/C15H33N/c1-13(2)7-10-16(11-8-14(3)4)12-9-15(5)6/h13-15H,7-12H2,1-6H3
InChI KeyQKVUSSUOYHTOFQ-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
964.0Log mg/kg[540:1700]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
644Hook Or Eye FastenersTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureLeucine aminopeptidaseQ29571Sus scrofaPredicted (SEA)1.40129
Click to view 3D structureHydrolase, alpha/beta hydrolase fold familyO69638Mycobacterium tuberculosisPredicted (SEA)152.662
Click to view 3D structureAminopeptidase NP15145Sus scrofaPredicted (SEA)1035.16
Aminopeptidase N structureClick to view 3D structureAminopeptidase NP15144HumansPredicted (SEA)1944.75
Click to view 3D structureBeta-lactamase VIM-1Q9XAY4Pseudomonas aeruginosaPredicted (SEA)8.48557
Click to view 3D structureHTH-type quorum-sensing regulator RhlRP54292Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)Predicted (SEA)170.957
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)7109.97
Collagenase 3 structureClick to view 3D structureCollagenase 3P45452HumansPredicted (SEA)7066.69
Click to view 3D structureAmino acid transporterQ9Z1J7Rattus norvegicusPredicted (SEA)1309.89
Click to view 3D structureAminopeptidase BO09175Rattus norvegicusPredicted (SEA)929.675
Aspartyl aminopeptidase structureClick to view 3D structureAspartyl aminopeptidaseQ9ULA0HumansPredicted (SEA)597.104
Click to view 3D structurePH domain leucine-rich repeat-containing protein phosphatase 1O60346HumansPredicted (SEA)46.3203
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)7742.81
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)7646.9
Muscarinic acetylcholine receptor M3 structureClick to view 3D structureMuscarinic acetylcholine receptor M3P20309HumansPredicted (SEA)7593.18
Muscarinic acetylcholine receptor M4 structureClick to view 3D structureMuscarinic acetylcholine receptor M4P08173HumansPredicted (SEA)7562.58
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)7653.05
Click to view 3D structureCytosol aminopeptidaseP28838HumansPredicted (SEA)2265.02
Interstitial collagenase structureClick to view 3D structureInterstitial collagenaseP03956HumansPredicted (SEA)7369.99
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)7695.71
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)7700.14
Muscarinic acetylcholine receptor M5 structureClick to view 3D structureMuscarinic acetylcholine receptor M5P08912HumansPredicted (SEA)7623.31
Click to view 3D structureSigma non-opioid intracellular receptor 1Q9R0C9Rattus norvegicusPredicted (SEA)7070.58
Click to view 3D structureGlutamine synthetaseP0A9C5Escherichia coli K-12Predicted (SEA)91.7842
Click to view 3D structureS-methylmethionine--homocysteine S-methyltransferase BHMT2Q9H2M3HumansPredicted (SEA)72.0884
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available