4V4

N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)phenyl)-N1,N2-dimethylethane-1,2-diamine

Created:	2015-03-23
Last modified:	2015-06-24

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3 entries where 4V4 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	0
Bond Count	49
Aromatic Bond Count	12

2D diagram of 4V4

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Chemical Component Summary
Name	N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)phenyl)-N1,N2-dimethylethane-1,2-diamine
Systematic Name (OpenEye OEToolkits)	N'-[3-[2-(6-azanyl-4-methyl-pyridin-2-yl)ethyl]phenyl]-N,N'-dimethyl-ethane-1,2-diamine
Formula	C₁₈ H₂₆ N₄
Molecular Weight	298.426
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CNCCN(C)c1cccc(CCc2cc(C)cc(N)n2)c1
SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(nc(c1)N)CCc2cccc(c2)N(C)CCNC
Canonical SMILES	CACTVS	3.385	CNCCN(C)c1cccc(CCc2cc(C)cc(N)n2)c1
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(nc(c1)N)CCc2cccc(c2)N(C)CCNC
InChI	InChI	1.03	InChI=1S/C18H26N4/c1-14-11-16(21-18(19)12-14)8-7-15-5-4-6-17(13-15)22(3)10-9-20-2/h4-6,11-13,20H,7-10H2,1-3H3,(H2,19,21)
InChIKey	InChI	1.03	MIKRWQRFDGLBCF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3586656
PubChem	91808024
ChEMBL	CHEMBL3586656

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