(e)-n,n,n',n'-tetramethylprop-1-ene-1,3-diamine (CED0312106)

Record Information

Version

1.0

Creation Date

2026-09-01 11:04:32 UTC

Update Date

2026-09-01 11:04:32 UTC

SynCED ID

CED0312106

Secondary Accession Numbers

CHEM357901

Identification

Common Name

(e)-n,n,n',n'-tetramethylprop-1-ene-1,3-diamine

Class

Small Molecule

Description

(e)-n,n,n',n'-tetramethylprop-1-ene-1,3-diamine is a compound with the formula C7H16N2. It has an average molecular weight of 128.22 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₇H₁₆N₂

Average Molecular Mass

Not Available

Monoisotopic Mass

128.131 g/mol

CAS Registry Number

17471-59-9

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CN(C)CC=CN(C)C

InChI Identifier

InChI=1S/C7H16N2/c1-8(2)6-5-7-9(3)4/h5-6H,7H2,1-4H3/b6-5+

InChI Key

LWVVNNZRDBXOQL-AATRIKPKSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
2114.0 Log mg/kg [1200:3800]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000735	Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.	Defense & military infrastructure	Not Available

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Tyrosine-protein kinase BTK	Q06187	Humans	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.175 Low confidence Statistical Significance 0.9708 Supporting Reference Compounds 798 E-value 7557.68
Click to view 3D structure	Tyrosine-protein kinase Lyn	P07948	Humans	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.175 Low confidence Statistical Significance 0.9666 Supporting Reference Compounds 666 E-value 7525.14
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	Prediction Confidence Score 0.159 Applicability Domain 0.172 Low confidence Statistical Significance 0.9882 Supporting Reference Compounds 1301 E-value 7692.75
Click to view 3D structure	Proto-oncogene tyrosine-protein kinase Src	P12931	Humans	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.164 Low confidence Statistical Significance 0.9894 Supporting Reference Compounds 1158 E-value 7702.09
Click to view 3D structure	Receptor tyrosine-protein kinase erbB-2	P04626	Humans	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.172 Low confidence Statistical Significance 0.9813 Supporting Reference Compounds 674 E-value 7639.11
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.184 Low confidence Statistical Significance 0.9921 Supporting Reference Compounds 955 E-value 7723.27
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.151 Applicability Domain 0.167 Low confidence Statistical Significance 0.9874 Supporting Reference Compounds 562 E-value 7686.91
Click to view 3D structure	Tyrosine-protein kinase Lck	P06239	Humans	Predicted (SEA)	Prediction Confidence Score 0.15 Applicability Domain 0.164 Low confidence Statistical Significance 0.9916 Supporting Reference Compounds 1130 E-value 7719.84
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.15 Applicability Domain 0.184 Low confidence Statistical Significance 0.9869 Supporting Reference Compounds 385 E-value 7683.17
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.15 Applicability Domain 0.184 Low confidence Statistical Significance 0.9877 Supporting Reference Compounds 373 E-value 7688.86
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	Prediction Confidence Score 0.15 Applicability Domain 0.184 Low confidence Statistical Significance 0.9833 Supporting Reference Compounds 310 E-value 7654.76
Click to view 3D structure	Proto-oncogene tyrosine-protein kinase receptor Ret	P07949	Humans	Predicted (SEA)	Prediction Confidence Score 0.149 Applicability Domain 0.162 Low confidence Statistical Significance 0.9861 Supporting Reference Compounds 764 E-value 7676.63
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.149 Applicability Domain 0.172 Low confidence Statistical Significance 0.9815 Supporting Reference Compounds 541 E-value 7641.21
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.148 Applicability Domain 0.162 Low confidence Statistical Significance 0.9933 Supporting Reference Compounds 1660 E-value 7733.15
Click to view 3D structure	5-hydroxytryptamine receptor 1B	P28564	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.148 Applicability Domain 0.182 Low confidence Statistical Significance 0.9353 Supporting Reference Compounds 154 E-value 7281.16
Click to view 3D structure	Tyrosine-protein kinase ABL1	P00519	Humans	Predicted (SEA)	Prediction Confidence Score 0.147 Applicability Domain 0.164 Low confidence Statistical Significance 0.9898 Supporting Reference Compounds 927 E-value 7705.44
Click to view 3D structure	Receptor tyrosine-protein kinase erbB-4	Q15303	Humans	Predicted (SEA)	Prediction Confidence Score 0.147 Applicability Domain 0.164 Low confidence Statistical Significance 0.9834 Supporting Reference Compounds 591 E-value 7655.54
Click to view 3D structure	Fibroblast growth factor receptor 2	P21802	Humans	Predicted (SEA)	Prediction Confidence Score 0.147 Applicability Domain 0.162 Low confidence Statistical Significance 0.9622 Supporting Reference Compounds 242 E-value 7490.57
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	Prediction Confidence Score 0.147 Applicability Domain 0.184 Low confidence Statistical Significance 0.9927 Supporting Reference Compounds 861 E-value 7728.01
Click to view 3D structure	Cytoplasmic tyrosine-protein kinase BMX	P51813	Humans	Predicted (SEA)	Prediction Confidence Score 0.147 Applicability Domain 0.164 Low confidence Statistical Significance 0.9657 Supporting Reference Compounds 219 E-value 7518.06
Click to view 3D structure	Histamine H1 receptor	P35367	Humans	Predicted (SEA)	Prediction Confidence Score 0.145 Applicability Domain 0.158 Low confidence Statistical Significance 0.9917 Supporting Reference Compounds 507 E-value 7720.07
Click to view 3D structure	Phosphatidylinositol 5-phosphate 4-kinase type-2 beta	P78356	Humans	Predicted (SEA)	Prediction Confidence Score 0.145 Applicability Domain 0.161 Low confidence Statistical Significance 0.9308 Supporting Reference Compounds 79 E-value 7245.97
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.145 Applicability Domain 0.184 Low confidence Statistical Significance 0.9928 Supporting Reference Compounds 953 E-value 7728.95
Click to view 3D structure	Tyrosine-protein kinase Blk	P51451	Humans	Predicted (SEA)	Prediction Confidence Score 0.145 Applicability Domain 0.164 Low confidence Statistical Significance 0.9852 Supporting Reference Compounds 550 E-value 7669.94
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	Prediction Confidence Score 0.144 Applicability Domain 0.158 Low confidence Statistical Significance 0.9931 Supporting Reference Compounds 451 E-value 7731.44