(1r,4s)-2-Azabornane

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.

Piperidines

Organic compounds

Organoheterocyclic compounds

Piperidines

Calculated Property

kind Value Source
logP 2.06 ALOGPS
logS -1.5 ALOGPS
Water Solubility 4.38e+00 g/l ALOGPS
logP 1.63 ChemAxon
IUPAC Name (1S,4R)-1,7,7-trimethyl-2-azabicyclo[2.2.1]heptane ChemAxon
Traditional IUPAC Name (1r,4s)-2-azabornane ChemAxon
Molecular Weight 139.238 ChemAxon
Monoisotopic Weight 139.136099549 ChemAxon
SMILES CC1(C)[C@H]2CC[C@]1(C)NC2 ChemAxon
Molecular Formula C9H17N ChemAxon
InChI InChI=1S/C9H17N/c1-8(2)7-4-5-9(8,3)10-6-7/h7,10H,4-6H2,1-3H3/t7-,9-/m0/s1 ChemAxon
InChIKey InChIKey=OLTRGBMOWPXXIG-CBAPKCEASA-N ChemAxon
Polar Surface Area (PSA) 12.03 ChemAxon
Refractivity 42.75 ChemAxon
Polarizability 17.02 ChemAxon
Rotatable Bond Count 0 ChemAxon
H Bond Acceptor Count 1 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest basic) 11.35 ChemAxon
Physiological Charge 1 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon