1,6-Diaminohexane

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group.

Monoalkylamines

Organic compounds

Organonitrogen compounds

Amines

Primary amines

Calculated Property

kind Value Source
logP 0.27 ALOGPS
logS -0.7 ALOGPS
Water Solubility 2.34e+01 g/l ALOGPS
logP 0.044 ChemAxon
IUPAC Name hexane-1,6-diamine ChemAxon
Traditional IUPAC Name 1,6-diaminohexane ChemAxon
Molecular Weight 116.2046 ChemAxon
Monoisotopic Weight 116.131348522 ChemAxon
SMILES NCCCCCCN ChemAxon
Molecular Formula C6H16N2 ChemAxon
InChI InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2 ChemAxon
InChIKey InChIKey=NAQMVNRVTILPCV-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 52.04 ChemAxon
Refractivity 36.58 ChemAxon
Polarizability 15.18 ChemAxon
Rotatable Bond Count 5 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest basic) 10.51 ChemAxon
Physiological Charge 2 ChemAxon
Number of Rings 0 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Agmatinase, putative : in Deinococcus radiodurans (strain ATCC 13939 / DSM 20539 / JCM 16871 / LMG 4051 / NBRC 15346 / NCIMB 9279 / R1 / VKM B-1422)