A1CSV

(2S)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine

Created:	2025-09-09
Last modified:	2025-12-17

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1 entries where A1CSV is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	1
Bond Count	31
Aromatic Bond Count	6

2D diagram of A1CSV

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Chemical Component Summary
Name	(2S)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
Systematic Name (OpenEye OEToolkits)	(2~{S})-~{N},~{N}-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
Formula	C₁₂ H₁₇ N
Molecular Weight	175.27
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	CN(C)C1Cc2ccccc2CC1
SMILES	CACTVS	3.385	CN(C)[CH]1CCc2ccccc2C1
SMILES	OpenEye OEToolkits	3.1.0.0	CN(C)C1CCc2ccccc2C1
Canonical SMILES	CACTVS	3.385	CN(C)[C@H]1CCc2ccccc2C1
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	CN(C)[C@H]1CCc2ccccc2C1
InChI	InChI	1.06	InChI=1S/C12H17N/c1-13(2)12-8-7-10-5-3-4-6-11(10)9-12/h3-6,12H,7-9H2,1-2H3/t12-/m0/s1
InChIKey	InChI	1.06	WGCDXGZYCIMFTN-LBPRGKRZSA-N

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.