Summary
IMPPAT Phytochemical identifier: IMPPAT3_PHYID007780
Phytochemical name: 1,3-Diaminopropane
Synonymous chemical names:1,3-diaminopropane, 1,3-diamino-propane
External chemical identifiers:CID:CID_428, ChEMBL:CHEMBL174324, ChEBI:CHEBI:15725, ZINC:ZINC000005828682, FDASRS:CB3ISL56KG, SureChEMBL:SCHEMBL8182, MolPort-000-871-983
Chemical structure information
SMILES:
NCCCNInChI:
InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2InChIKey:
XFNJVJPLKCPIBV-UHFFFAOYSA-NDeepSMILES:
NCCCNFunctional groups:
CNLink to spectral information:
MSBNK-Fac_Eng_Univ_Tokyo-JP007321, MSBNK-Keio_Univ-KO002657, MSBNK-Keio_Univ-KO002658, MSBNK-Keio_Univ-KO002659, MSBNK-Keio_Univ-KO002660, MSBNK-Keio_Univ-KO002661, MSBNK-Osaka_Univ-OUF00001, MSBNK-RIKEN_ReSpect-PS000101, MSBNK-RIKEN_ReSpect-PS000102, MSBNK-RIKEN_ReSpect-PS074001, MSBNK-RIKEN_ReSpect-PS074002
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Organic nitrogen compoundsClassyFire Class: Organonitrogen compounds
ClassyFire Subclass: Amines
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Ornithine alkaloids
NP Classifier Class: Polyamines
NP-Likeness score: 0.488
Chemical structure download
