Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID012314

Phytochemical name: Dodecylamine

Synonymous chemical names:
1-dodecanamine

External chemical identifiers:
CID:CID_13583, ChEMBL:CHEMBL109904, ZINC:ZINC000001545438, FDASRS:YWY9OD6A2K, SureChEMBL:SCHEMBL25484, MolPort-001-785-585

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Chemical structure information

SMILES:
CCCCCCCCCCCCN

InChI:
InChI=1S/C12H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-13H2,1H3

InChIKey:
JRBPAEWTRLWTQC-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCN

Functional groups:
CN

Link to spectral information:
MSBNK-LCSB-LU119506, MSBNK-LCSB-LU119505, MSBNK-LCSB-LU119504, MSBNK-LCSB-LU119503, MSBNK-LCSB-LU119501, MSBNK-EPA-ENTACT_AGILENT000585, MSBNK-EPA-ENTACT_AGILENT000584, MSBNK-EPA-ENTACT_AGILENT000583, MSBNK-LCSB-LU119502

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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 Classifier Superclass: Fatty Acids and Conjugates, Fatty acyls

NP Classifier Class: Amino fatty acids, Hydrocarbons

NP-Likeness score: 0.444

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Chemical structure download