IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
a curated database
HOME
BROWSE
BASIC SEARCH
ADVANCED SEARCH
STATISTICS
ACKNOWLEDGEMENT
HELP
IMPPAT Phytochemical information:
N,N'-Bis(3-aminopropyl)-1,3-propanediamine
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Predicted human target proteins
Summary
IMPPAT Phytochemical identifier:
IMPHY007004
Phytochemical name:
N,N'-Bis(3-aminopropyl)-1,3-propanediamine
Synonymous chemical names:
norspermine
External chemical identifiers:
CID:78350
,
ChEMBL:CHEMBL91193
,
ChEBI:45718
,
ZINC:ZINC000001656877
,
SureChEMBL:SCHEMBL181589
,
MolPort-002-498-922
Chemical structure information
SMILES:
NCCCNCCCNCCCN
InChI:
InChI=1S/C9H24N4/c10-4-1-6-12-8-3-9-13-7-2-5-11/h12-13H,1-11H2
InChIKey:
ZAXCZCOUDLENMH-UHFFFAOYSA-N
DeepSMILES:
NCCCNCCCNCCCN
Functional groups:
CN, CNC
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organic nitrogen compounds
ClassyFire Class:
Organonitrogen compounds
ClassyFire Subclass:
Amines
NP Classifier Biosynthetic pathway:
Alkaloids
NP Classifier Superclass:
Ornithine alkaloids
NP Classifier Class:
Polyamines
NP-Likeness score:
0.077
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
Top