Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017850

Phytochemical name: N,N-Dimethyldodecylamine

Synonymous chemical names:
n,n-dimethyl-dodecylamine

External chemical identifiers:
CID:CID_8168, ChEMBL:CHEMBL109737, ZINC:ZINC000001687260, FDASRS:6V2OM30I1Z, SureChEMBL:SCHEMBL107058, MolPort-003-929-206

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Chemical structure information

SMILES:
CCCCCCCCCCCCN(C)C

InChI:
InChI=1S/C14H31N/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h4-14H2,1-3H3

InChIKey:
YWFWDNVOPHGWMX-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCNC)C

Functional groups:
CN(C)C

Link to spectral information:
MSBNK-Athens_Univ-AU285304, MSBNK-Athens_Univ-AU285306, MSBNK-Athens_Univ-AU285303, MSBNK-Athens_Univ-AU285301, MSBNK-Athens_Univ-AU285302

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic nitrogen compounds

ClassyFire Class: Organonitrogen compounds

ClassyFire Subclass: Amines

NP Classifier Biosynthetic pathway: Fatty acids

NP-Likeness score: -0.202

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Chemical structure download