1-Guanidinium-7-Aminoheptane

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as orthocarboxylic acid derivatives. These are organic compounds containing the orhtocarboxylic acid functional group, with the RC(X)(X)X (R=H, alkyl,aryl; X=OH,alkoxy,aryloxy, (substituted amino), etc).

Orthocarboxylic acid derivatives

Organic compounds

Organic acids and derivatives

Orthocarboxylic acid derivatives

Calculated Property

kind Value Source
logP -0.44 ALOGPS
logS -0.86 ALOGPS
Water Solubility 2.41e+01 g/l ALOGPS
logP 0.04 ChemAxon
IUPAC Name (7-aminoheptyl)(diaminomethyl)amine ChemAxon
Traditional IUPAC Name 1-guanidinium-7-aminoheptane ChemAxon
Molecular Weight 174.2871 ChemAxon
Monoisotopic Weight 174.184446724 ChemAxon
SMILES NCCCCCCCNC(N)N ChemAxon
Molecular Formula C8H22N4 ChemAxon
InChI InChI=1S/C8H22N4/c9-6-4-2-1-3-5-7-12-8(10)11/h8,12H,1-7,9-11H2 ChemAxon
InChIKey InChIKey=SKGAVCHIFDRDTK-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 90.09 ChemAxon
Refractivity 52.09 ChemAxon
Polarizability 22.13 ChemAxon
Rotatable Bond Count 8 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 4 ChemAxon
pKa (strongest basic) 10.21 ChemAxon
Physiological Charge 1 ChemAxon
Number of Rings 0 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Deoxyhypusine synthase : in Human