V40

(2S)-1-{[(1R,2R)-2-(aminomethyl)cyclohexyl]methyl}pyrrolidin-2-ol

Created:	2022-08-29
Last modified:	2022-11-02

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1 entries where V40 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	3
Bond Count	40
Aromatic Bond Count	0

2D diagram of V40

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Chemical Component Summary
Name	(2S)-1-{[(1R,2R)-2-(aminomethyl)cyclohexyl]methyl}pyrrolidin-2-ol
Systematic Name (OpenEye OEToolkits)	(2~{S})-1-[[(1~{R},2~{R})-2-(aminomethyl)cyclohexyl]methyl]pyrrolidin-2-ol
Formula	C₁₂ H₂₄ N₂ O
Molecular Weight	212.332
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	NCC1CCCCC1CN1CCCC1O
SMILES	CACTVS	3.385	NC[CH]1CCCC[CH]1CN2CCC[CH]2O
SMILES	OpenEye OEToolkits	2.0.7	C1CCC(C(C1)CN)CN2CCCC2O
Canonical SMILES	CACTVS	3.385	NC[C@@H]1CCCC[C@H]1CN2CCC[C@@H]2O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C1CC[C@H]([C@@H](C1)CN)CN2CCC[C@@H]2O
InChI	InChI	1.06	InChI=1S/C12H24N2O/c13-8-10-4-1-2-5-11(10)9-14-7-3-6-12(14)15/h10-12,15H,1-9,13H2/t10-,11-,12-/m0/s1
InChIKey	InChI	1.06	ITLMVPHXKPDLDM-SRVKXCTJSA-N

Related Resource References

Resource Name	Reference
PubChem	165416591

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