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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL303004
CHEMBL303004
Compound Name
ChEMBL Synonyms Hexane-1,6-Diamine
Max Phase 0
Trade Names
Molecular Formula C6H16N2

Additional synonyms for CHEMBL303004 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCCCCCN
Standard InChI InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2
Standard InChI Key NAQMVNRVTILPCV-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL303004

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
116.2 116.1313 0.08 5 52.04 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 2 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.93 .39 -3.7 0 8 0.5

Structural Alerts

There are 5 structural alerts for CHEMBL303004. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NAQMVNRVTILPCV-UHFFFAOYSA-N
PubChem SID: 144209286 SID: 144213440 SID: 17389453
Wikipedia Hexamethylenediamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL303004



ACToR 73398-58-0 124-09-4
BindingDB 50323740
ChEBI 39618
DrugBank DB03260
eMolecules 498095
EPA CompTox Dashboard DTXSID5024922
FDA SRS ZRA5J5B2QW
IBM Patent System F629CA24E411FD454546D4E4CBFBB7BD
Mcule MCULE-3766020930
MolPort MolPort-001-770-255
Nikkaji J10.055B
NMRShiftDB 20097224
PDBe 16D
PubChem 16402
PubChem: Thomson Pharma 15297102
SureChEMBL SCHEMBL15085

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/NAQMVNRVTILPCV-UHFFFAOYSA-N spacer
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