Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017690

Phytochemical name: Butylamine

Synonymous chemical names:
butylamine

External chemical identifiers:
CID:CID_8007, ChEMBL:CHEMBL13968, ChEBI:CHEBI:43799, ZINC:ZINC000001586365, FDASRS:N2QV60B4WR, SureChEMBL:SCHEMBL8559, MolPort-001-788-476

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Chemical structure information

SMILES:
CCCCN

InChI:
InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3

InChIKey:
HQABUPZFAYXKJW-UHFFFAOYSA-N

DeepSMILES:
CCCCN

Functional groups:
CN

Link to spectral information:
MSBNK-Osaka_Univ-OUF00382, MSBNK-CASMI_2016-SM817603

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic nitrogen compounds

ClassyFire Class: Organonitrogen compounds

ClassyFire Subclass: Amines

NP-Likeness score: 0.572

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Chemical structure download