1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic group.

Dialkylarylamines

Organic compounds

Organonitrogen compounds

Amines

Tertiary amines

Calculated Property

kind Value Source
logP 1.52 ALOGPS
logS -1.1 ALOGPS
Water Solubility 1.37e+01 g/l ALOGPS
logP 1.14 ChemAxon
IUPAC Name (1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine ChemAxon
Traditional IUPAC Name (1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)methanamine ChemAxon
Molecular Weight 191.2728 ChemAxon
Monoisotopic Weight 191.142247559 ChemAxon
SMILES CN1CCN(C)C2=CC(CN)=CC=C12 ChemAxon
Molecular Formula C11H17N3 ChemAxon
InChI InChI=1S/C11H17N3/c1-13-5-6-14(2)11-7-9(8-12)3-4-10(11)13/h3-4,7H,5-6,8,12H2,1-2H3 ChemAxon
InChIKey InChIKey=TWGYATHIWDUKGY-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 32.5 ChemAxon
Refractivity 61.42 ChemAxon
Polarizability 22.49 ChemAxon
Rotatable Bond Count 1 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest basic) 9.72 ChemAxon
Physiological Charge 1 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Glutaryl-CoA dehydrogenase : in Burkholderia pseudomallei (strain 1710b)