BTM

N-benzyl-N,N-diethylethanaminium

Created:	2008-03-06
Last modified:	2011-06-04

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24 entries where BTM is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	36
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	6

2D diagram of BTM

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Chemical Component Summary
Name	N-benzyl-N,N-diethylethanaminium
Systematic Name (OpenEye OEToolkits)	triethyl-(phenylmethyl)azanium
Formula	C₁₃ H₂₂ N
Molecular Weight	192.32
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	c1ccccc1C[N+](CC)(CC)CC
SMILES	CACTVS	3.341	CC[N+](CC)(CC)Cc1ccccc1
SMILES	OpenEye OEToolkits	1.5.0	CC[N+](CC)(CC)Cc1ccccc1
Canonical SMILES	CACTVS	3.341	CC[N+](CC)(CC)Cc1ccccc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC[N+](CC)(CC)Cc1ccccc1
InChI	InChI	1.03	InChI=1S/C13H22N/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13/h7-11H,4-6,12H2,1-3H3/q+1
InChIKey	InChI	1.03	VBQDSLGFSUGBBE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	17208
CCDC/CSD	DUYCOS01, FAHSOZ01, AGUYIN, KUYPUQ, COWYAR, DAMTER, AGUYEJ, GAPJIR, JUQDAA, KABKUW01, CUNBIW, CLCAME01, FEWMID01, BASHOT, LAFHIK, HEMVOL, CACCAM, GAPHUB, KICQOC, KALGAG, DOFWAW, DOFWAW01, HOWRAP, LAFHIK01, JUYWEH, BASHIN, DUYCOS, CUKZIR, BEAMRH, FEWMID, HEHCEE01, DOJYOR, BEACRS, JIXYAQ, ABUDIN, BZASRH, ABUDOT, BUCDIM, BUCDIM10, HEHCEE, FIHBON, HEKDAC, CICDUO, BOWFIF, BOWFEB, DAMTER01, HOWRAP01, COWYAR01
COD	3500030, 2232718

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.