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name Structure Reference Source Properties Activities Metabolism

Trimethylamine

AlkaPlorer ID: AK316679

Synonym: N,N-Dimethylmethanamine, FEMA 3241 

IUPAC Name: N,N-dimethylmethanamine

Structure

SMILES: CN(C)C

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InChI: InChI=1S/C3H9N/c1-4(2)3/h1-3H3

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InChIKey: GETQZCLCWQTVFV-UHFFFAOYSA-N

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Reference

PubChem CID: 1146

CAS: 75-50-3

SuperNatural Ⅲ: SN0103747

NPASS: NPC246534

Source

Species Genus Family Order Class Phylum Kingdom Domain
Canis latrans Canis Canidae Carnivora Mammalia Chordata Metazoa Eukaryota

Properties Information

Molecule Weight: 59.112

TPSA？: 3.24

MolLogP？: 0.1777999999999999

Number of H-Donors: 0

Number of H-Acceptors: 1

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Neuronal acetylcholine receptor; alpha4/beta2 Ki nan nM 10.1021/jm990093z
Homo sapiens Neuronal acetylcholine receptor protein alpha-7 subunit Ki nan nM 10.1021/jm990093z
Mus musculus Choline transporter Ki 340016.51 nM 10.1016/j.bmcl.2010.06.090
Mus musculus Trace amine-associated receptor 5 EC50 2100.0 nM 10.1039/C5MD00490J
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 19.01 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.21 % 10.6019/CHEMBL4495565
None No relevant target Log S 1.32 None 10.1016/s0960-894x(00)00172-4
None No relevant target pKa 9.8 None 10.1007/s11095-013-1232-z
None No relevant target pKa 9.8 None 10.1021/jm00204a009
None No relevant target pKa nan None 10.1021/jm00075a019

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT000706 *N[C@@H](Cc1c[nH]c[n+]1[Co-4]123N4C5=C(C)C6=[N+]1C(=CC1=[N+]2C(=C(C)C2=[N+]3[C@@](C)([C@H]4[C@H](CC(N)=O)[C@@]5(C)CCC(=O)NC[C@@H](C)O)[C@@](C)(CC(N)=O)[C@@H]2CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]1CCC(N)=O)C(C)(C)[C@@H]6CCC(N)=O)C(*)=O.CN(C)C>>*N[C@@H](Cc1c[nH]c[n+]1[Co-3]123(C)N4C5=C(C)C6=[N+]1C(=CC1=[N+]2C(=C(C)C2=[N+]3[C@@](C)([C@H]4[C@H](CC(N)=O)[C@@]5(C)CCC(=O)NC[C@@H](C)O)[C@@](C)(CC(N)=O)[C@@H]2CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]1CCC(N)=O)C(C)(C)[C@@H]6CCC(N)=O)C(*)=O RXN-8102
AKRT004289 CC(=O)OP(=O)(O)O.CN(C)C>>C[N+](C)(C)CC(=O)O MNXR149825
AKRT010359 CN(C)C.O=C[C@H](O)CC(=O)O>>C[N+](C)(C)CC(O)CC(=O)O MNXR176896
AKRT010360 CN(C)C.O=C[C@H](O)CC(=O)O>>C[N+](C)(C)C[C@@H](O)CC(=O)O MNXR182247
AKRT010361 CN(C)C.O=S(=O)(O)CCS>>CSCCS(=O)(=O)O R09124
AKRT010364 CN(C)C>>C=O R02511
AKRT010365 CN(C)C>>CNC RXN-8102
AKRT010366 CN(C)C>>C[N+](C)(C)O RXN-12900
AKRT014262 C[N+](C)(C)C>>CN(C)C RXN-8132
AKRT014272 C[N+](C)(C)CC(=O)O>>CN(C)C 58500
AKRT014294 C[N+](C)(C)CCCC(=O)O>>CN(C)C 58488
AKRT014300 C[N+](C)(C)CCCC(=O)[CoA]>>CN(C)C RXN-22879
AKRT014320 C[N+](C)(C)CCO>>CN(C)C RXN-13946
AKRT014385 C[N+](C)(C)C[C@@H](O)CC(=O)O>>CN(C)C enzymemap_12093
AKRT014408 C[N+](C)(C)C[C@H](O)CC(=O)O>>CN(C)C RXN-5921
AKRT014420 C[N+](C)(C)O>>CN(C)C R02560
AKRT014424 C[N+](C)(C)[C@@H](Cc1c[nH]c(S)n1)C(=O)O>>CN(C)C R04877