2BN

(1R,4S)-2-AZABORNANE

Created:	2002-11-08
Last modified:	2011-06-04

Find Related PDB Entry
1 entries where 2BN is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	2
Bond Count	28
Aromatic Bond Count	0

2D diagram of 2BN

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(1R,4S)-2-AZABORNANE
Systematic Name (OpenEye OEToolkits)	(1R,4S)-1,7,7-trimethyl-6-azabicyclo[2.2.1]heptane
Formula	C₉ H₁₇ N
Molecular Weight	139.238
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	N2C1(CCC(C1(C)C)C2)C
SMILES	CACTVS	3.341	CC1(C)[CH]2CC[C]1(C)NC2
SMILES	OpenEye OEToolkits	1.5.0	CC1(C2CCC1(NC2)C)C
Canonical SMILES	CACTVS	3.341	CC1(C)[C@@H]2CC[C@@]1(C)NC2
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC1([C@@H]2CC[C@]1(NC2)C)C
InChI	InChI	1.03	InChI=1S/C9H17N/c1-8(2)7-4-5-9(8,3)10-6-7/h7,10H,4-6H2,1-3H3/t7-,9-/m1/s1
InChIKey	InChI	1.03	OLTRGBMOWPXXIG-VXNVDRBHSA-N

Drug Info: DrugBank

DrugBank ID	DB02409
Name	(1r,4s)-2-Azabornane
Groups	experimental
Synonyms	(1r,4s)-2-Azabornane

Related Resource References

Resource Name	Reference
PubChem	447260

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.