1-carbamimidoyl-3-[2-(2,3-dihydroxyphenyl)ethyl]-1,3-dimethylguanidine;1-carbamimidoyl-2-[2-(2,3-dihydroxyphenyl)ethyl]-1-methylguanidine;1-carbamimidoyl-3-[(2,3-dihydroxyphenyl)methyl]-1,3-dimethylguanidine;3-(diaminomethylidene)-1-[2-(2,3-dihydroxyphenyl)ethyl]-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[2-(2,3-dihydroxyphenyl)ethyl]guanidine;1-(diaminomethylidene)-3-[2-(2,3-dihydroxyphenyl)ethyl]-2-methylguanidine;3-(diaminomethylidene)-1-[2-(2,3-dihydroxyphenyl)ethyl]-1-methylguanidine;3-(diaminomethylidene)-1-[(2,3-dihydroxyphenyl)methyl]-1,2-dimethylguanidine;2-[N'-[2-(2,3-dihydroxyphenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;1-[N'-[2-(2,3-dihydroxyphenyl)ethyl]carbamimidoyl]-2-methylguanidine;1-[2-(2,3-dihydroxyphenyl)ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;2-[N'-[(2,3-dihydroxyphenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine;1-[(2,3-dihydroxyphenyl)methyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine

C146H227N65O26 — CID 165109406

IUPAC1-carbamimidoyl-3-[2-(2,3-dihydroxyphenyl)ethyl]-1,3-dimethylguanidine;1-carbamimidoyl-2-[2-(2,3-dihydroxyphenyl)ethyl]-1-methylguanidine;1-carbamimidoyl-3-[(2,3-dihydroxyphenyl)methyl]-1,3-dimethylguanidine;3-(diaminomethylidene)-1-[2-(2,3-dihydroxyphenyl)ethyl]-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[2-(2,3-dihydroxyphenyl)ethyl]guanidine;1-(diaminomethylidene)-3-[2-(2,3-dihydroxyphenyl)ethyl]-2-methylguanidine;3-(diaminomethylidene)-1-[2-(2,3-dihydroxyphenyl)ethyl]-1-methylguanidine;3-(diaminomethylidene)-1-[(2,3-dihydroxyphenyl)methyl]-1,2-dimethylguanidine;2-[N'-[2-(2,3-dihydroxyphenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;1-[N'-[2-(2,3-dihydroxyphenyl)ethyl]carbamimidoyl]-2-methylguanidine;1-[2-(2,3-dihydroxyphenyl)ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;2-[N'-[(2,3-dihydroxyphenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine;1-[(2,3-dihydroxyphenyl)methyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine
SMILESC/N=C(/N=C(N)N)N(C)CCc1cccc(O)c1O.C/N=C(/N=C(N)N)N(C)Cc1cccc(O)c1O.C/N=C(/N=C(N)N)NCCc1cccc(O)c1O.C/N=C(\N)N/C(N)=N/CCc1cccc(O)c1O.C/N=C(\N)N=C(N)N(C)CCc1cccc(O)c1O.C/N=C(\N)N=C(N)N(C)Cc1cccc(O)c1O.CN(C)C(N)=N/C(N)=N/CCc1cccc(O)c1O.CN(C)C(N)=N/C(N)=N/Cc1cccc(O)c1O.NC(N)=N/C(N)=N/CCc1cccc(O)c1O.[H]/N=C(/N(C)CCc1cccc(O)c1O)N(C)/C(N)=N/[H].[H]/N=C(/N(C)Cc1cccc(O)c1O)N(C)/C(N)=N/[H].[H]/N=C(\N)N(C)/C(N)=N/CCc1cccc(O)c1O.[H]/N=C(\N=C(N)N)N(C)CCc1cccc(O)c1O
InChIInChI=1S/4C12H19N5O2.8C11H17N5O2.C10H15N5O2/c1-17(2)12(14)16-11(13)15-7-6-8-4-3-5-9(18)10(8)19;1-15-11(13)16-12(14)17(2)7-6-8-4-3-5-9(18)10(8)19;1-16(12(15)17(2)11(13)14)7-6-8-4-3-5-9(18)10(8)19;1-15-12(16-11(13)14)17(2)7-6-8-4-3-5-9(18)10(8)19;1-16(2)11(13)15-10(12)14-6-7-4-3-5-8(17)9(7)18;1-14-10(12)15-11(13)16(2)6-7-4-3-5-8(17)9(7)18;1-15(11(14)16(2)10(12)13)6-7-4-3-5-8(17)9(7)18;1-14-11(15-10(12)13)16(2)6-7-4-3-5-8(17)9(7)18;1-14-10(12)16-11(13)15-6-5-7-3-2-4-8(17)9(7)18;1-16(11(14)15-10(12)13)6-5-7-3-2-4-8(17)9(7)18;1-16(10(12)13)11(14)15-6-5-7-3-2-4-8(17)9(7)18;1-14-11(16-10(12)13)15-6-5-7-3-2-4-8(17)9(7)18;11-9(12)15-10(13)14-5-4-6-2-1-3-7(16)8(6)17/h2*3-5,18-19H,6-7H2,1-2H3,(H4,13,14,15,16);3-5,15,18-19H,6-7H2,1-2H3,(H3,13,14);3-5,18-19H,6-7H2,1-2H3,(H4,13,14,15,16);2*3-5,17-18H,6H2,1-2H3,(H4,12,13,14,15);3-5,14,17-18H,6H2,1-2H3,(H3,12,13);3-5,17-18H,6H2,1-2H3,(H4,12,13,14,15);2-4,17-18H,5-6H2,1H3,(H5,12,13,14,15,16);2-4,17-18H,5-6H2,1H3,(H5,12,13,14,15);2-4,17-18H,5-6H2,1H3,(H3,12,13)(H2,14,15);2-4,17-18H,5-6H2,1H3,(H5,12,13,14,15,16);1-3,16-17H,4-5H2,(H6,11,12,13,14,15)/b;;15-12-;;;;14-11-;;;;;;
InChIKeyZRRVTIQVAXEBID-KNMBXNGXSA-N
MW3308.85 g/mol
LogP-2.75
Rot. Bonds35

About 1-carbamimidoyl-3-[2-(2,3-dihydroxyphenyl)ethyl]-1,3-dimethylguanidine;1-carbamimidoyl-2-[2-(2,3-dihydroxyphenyl)ethyl]-1-methylguanidine;1-carbamimidoyl-3-[(2,3-dihydroxyphenyl)methyl]-1,3-dimethylguanidine;3-(diaminomethylidene)-1-[2-(2,3-dihydroxyphenyl)ethyl]-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[2-(2,3-dihydroxyphenyl)ethyl]guanidine;1-(diaminomethylidene)-3-[2-(2,3-dihydroxyphenyl)ethyl]-2-methylguanidine;3-(diaminomethylidene)-1-[2-(2,3-dihydroxyphenyl)ethyl]-1-methylguanidine;3-(diaminomethylidene)-1-[(2,3-dihydroxyphenyl)methyl]-1,2-dimethylguanidine;2-[N'-[2-(2,3-dihydroxyphenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;1-[N'-[2-(2,3-dihydroxyphenyl)ethyl]carbamimidoyl]-2-methylguanidine;1-[2-(2,3-dihydroxyphenyl)ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;2-[N'-[(2,3-dihydroxyphenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine;1-[(2,3-dihydroxyphenyl)methyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine

1-carbamimidoyl-3-[2-(2,3-dihydroxyphenyl)ethyl]-1,3-dimethylguanidine;1-carbamimidoyl-2-[2-(2,3-dihydroxyphenyl)ethyl]-1-methylguanidine;1-carbamimidoyl-3-[(2,3-dihydroxyphenyl)methyl]-1,3-dimethylguanidine;3-(diaminomethylidene)-1-[2-(2,3-dihydroxyphenyl)ethyl]-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[2-(2,3-dihydroxyphenyl)ethyl]guanidine;1-(diaminomethylidene)-3-[2-(2,3-dihydroxyphenyl)ethyl]-2-methylguanidine;3-(diaminomethylidene)-1-[2-(2,3-dihydroxyphenyl)ethyl]-1-methylguanidine;3-(diaminomethylidene)-1-[(2,3-dihydroxyphenyl)methyl]-1,2-dimethylguanidine;2-[N'-[2-(2,3-dihydroxyphenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;1-[N'-[2-(2,3-dihydroxyphenyl)ethyl]carbamimidoyl]-2-methylguanidine;1-[2-(2,3-dihydroxyphenyl)ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;2-[N'-[(2,3-dihydroxyphenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine;1-[(2,3-dihydroxyphenyl)methyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine (PubChem CID 165109406) has the molecular formula C146H227N65O26 and a molecular weight of 3308.85 g/mol. Its IUPAC name is 1-carbamimidoyl-3-[2-(2,3-dihydroxyphenyl)ethyl]-1,3-dimethylguanidine;1-carbamimidoyl-2-[2-(2,3-dihydroxyphenyl)ethyl]-1-methylguanidine;1-carbamimidoyl-3-[(2,3-dihydroxyphenyl)methyl]-1,3-dimethylguanidine;3-(diaminomethylidene)-1-[2-(2,3-dihydroxyphenyl)ethyl]-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[2-(2,3-dihydroxyphenyl)ethyl]guanidine;1-(diaminomethylidene)-3-[2-(2,3-dihydroxyphenyl)ethyl]-2-methylguanidine;3-(diaminomethylidene)-1-[2-(2,3-dihydroxyphenyl)ethyl]-1-methylguanidine;3-(diaminomethylidene)-1-[(2,3-dihydroxyphenyl)methyl]-1,2-dimethylguanidine;2-[N'-[2-(2,3-dihydroxyphenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;1-[N'-[2-(2,3-dihydroxyphenyl)ethyl]carbamimidoyl]-2-methylguanidine;1-[2-(2,3-dihydroxyphenyl)ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;2-[N'-[(2,3-dihydroxyphenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine;1-[(2,3-dihydroxyphenyl)methyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine.

Molecular Properties

Compound Name1-carbamimidoyl-3-[2-(2,3-dihydroxyphenyl)ethyl]-1,3-dimethylguanidine;1-carbamimidoyl-2-[2-(2,3-dihydroxyphenyl)ethyl]-1-methylguanidine;1-carbamimidoyl-3-[(2,3-dihydroxyphenyl)methyl]-1,3-dimethylguanidine;3-(diaminomethylidene)-1-[2-(2,3-dihydroxyphenyl)ethyl]-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[2-(2,3-dihydroxyphenyl)ethyl]guanidine;1-(diaminomethylidene)-3-[2-(2,3-dihydroxyphenyl)ethyl]-2-methylguanidine;3-(diaminomethylidene)-1-[2-(2,3-dihydroxyphenyl)ethyl]-1-methylguanidine;3-(diaminomethylidene)-1-[(2,3-dihydroxyphenyl)methyl]-1,2-dimethylguanidine;2-[N'-[2-(2,3-dihydroxyphenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;1-[N'-[2-(2,3-dihydroxyphenyl)ethyl]carbamimidoyl]-2-methylguanidine;1-[2-(2,3-dihydroxyphenyl)ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;2-[N'-[(2,3-dihydroxyphenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine;1-[(2,3-dihydroxyphenyl)methyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine
PubChem CID165109406
Molecular FormulaC146H227N65O26
Molecular Weight3308.85 g/mol
Exact Mass3306.84
IUPAC Name1-carbamimidoyl-3-[2-(2,3-dihydroxyphenyl)ethyl]-1,3-dimethylguanidine;1-carbamimidoyl-2-[2-(2,3-dihydroxyphenyl)ethyl]-1-methylguanidine;1-carbamimidoyl-3-[(2,3-dihydroxyphenyl)methyl]-1,3-dimethylguanidine;3-(diaminomethylidene)-1-[2-(2,3-dihydroxyphenyl)ethyl]-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[2-(2,3-dihydroxyphenyl)ethyl]guanidine;1-(diaminomethylidene)-3-[2-(2,3-dihydroxyphenyl)ethyl]-2-methylguanidine;3-(diaminomethylidene)-1-[2-(2,3-dihydroxyphenyl)ethyl]-1-methylguanidine;3-(diaminomethylidene)-1-[(2,3-dihydroxyphenyl)methyl]-1,2-dimethylguanidine;2-[N'-[2-(2,3-dihydroxyphenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;1-[N'-[2-(2,3-dihydroxyphenyl)ethyl]carbamimidoyl]-2-methylguanidine;1-[2-(2,3-dihydroxyphenyl)ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;2-[N'-[(2,3-dihydroxyphenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine;1-[(2,3-dihydroxyphenyl)methyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine
SMILESC/N=C(/N=C(N)N)N(C)CCc1cccc(O)c1O.C/N=C(/N=C(N)N)N(C)Cc1cccc(O)c1O.C/N=C(/N=C(N)N)NCCc1cccc(O)c1O.C/N=C(\N)N/C(N)=N/CCc1cccc(O)c1O.C/N=C(\N)N=C(N)N(C)CCc1cccc(O)c1O.C/N=C(\N)N=C(N)N(C)Cc1cccc(O)c1O.CN(C)C(N)=N/C(N)=N/CCc1cccc(O)c1O.CN(C)C(N)=N/C(N)=N/Cc1cccc(O)c1O.NC(N)=N/C(N)=N/CCc1cccc(O)c1O.[H]/N=C(/N(C)CCc1cccc(O)c1O)N(C)/C(N)=N/[H].[H]/N=C(/N(C)Cc1cccc(O)c1O)N(C)/C(N)=N/[H].[H]/N=C(\N)N(C)/C(N)=N/CCc1cccc(O)c1O.[H]/N=C(\N=C(N)N)N(C)CCc1cccc(O)c1O
InChIInChI=1S/4C12H19N5O2.8C11H17N5O2.C10H15N5O2/c1-17(2)12(14)16-11(13)15-7-6-8-4-3-5-9(18)10(8)19;1-15-11(13)16-12(14)17(2)7-6-8-4-3-5-9(18)10(8)19;1-16(12(15)17(2)11(13)14)7-6-8-4-3-5-9(18)10(8)19;1-15-12(16-11(13)14)17(2)7-6-8-4-3-5-9(18)10(8)19;1-16(2)11(13)15-10(12)14-6-7-4-3-5-8(17)9(7)18;1-14-10(12)15-11(13)16(2)6-7-4-3-5-8(17)9(7)18;1-15(11(14)16(2)10(12)13)6-7-4-3-5-8(17)9(7)18;1-14-11(15-10(12)13)16(2)6-7-4-3-5-8(17)9(7)18;1-14-10(12)16-11(13)15-6-5-7-3-2-4-8(17)9(7)18;1-16(11(14)15-10(12)13)6-5-7-3-2-4-8(17)9(7)18;1-16(10(12)13)11(14)15-6-5-7-3-2-4-8(17)9(7)18;1-14-11(16-10(12)13)15-6-5-7-3-2-4-8(17)9(7)18;11-9(12)15-10(13)14-5-4-6-2-1-3-7(16)8(6)17/h2*3-5,18-19H,6-7H2,1-2H3,(H4,13,14,15,16);3-5,15,18-19H,6-7H2,1-2H3,(H3,13,14);3-5,18-19H,6-7H2,1-2H3,(H4,13,14,15,16);2*3-5,17-18H,6H2,1-2H3,(H4,12,13,14,15);3-5,14,17-18H,6H2,1-2H3,(H3,12,13);3-5,17-18H,6H2,1-2H3,(H4,12,13,14,15);2-4,17-18H,5-6H2,1H3,(H5,12,13,14,15,16);2-4,17-18H,5-6H2,1H3,(H5,12,13,14,15);2-4,17-18H,5-6H2,1H3,(H3,12,13)(H2,14,15);2-4,17-18H,5-6H2,1H3,(H5,12,13,14,15,16);1-3,16-17H,4-5H2,(H6,11,12,13,14,15)/b;;15-12-;;;;14-11-;;;;;;
InChIKeyZRRVTIQVAXEBID-KNMBXNGXSA-N
XLogP-2.75
TPSA1629.72 Ų
H-Bond Donors59
H-Bond Acceptors43
Rotatable Bonds35
Heavy Atoms237
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003308.85
LogP ≤ 5-2.75
H-Bond Donors ≤ 559
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-carbamimidoyl-3-[2-(2,3-dihydroxyphenyl)ethyl]-1,3-dimethylguanidine;1-carbamimidoyl-2-[2-(2,3-dihydroxyphenyl)ethyl]-1-methylguanidine;1-carbamimidoyl-3-[(2,3-dihydroxyphenyl)methyl]-1,3-dimethylguanidine;3-(diaminomethylidene)-1-[2-(2,3-dihydroxyphenyl)ethyl]-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[2-(2,3-dihydroxyphenyl)ethyl]guanidine;1-(diaminomethylidene)-3-[2-(2,3-dihydroxyphenyl)ethyl]-2-methylguanidine;3-(diaminomethylidene)-1-[2-(2,3-dihydroxyphenyl)ethyl]-1-methylguanidine;3-(diaminomethylidene)-1-[(2,3-dihydroxyphenyl)methyl]-1,2-dimethylguanidine;2-[N'-[2-(2,3-dihydroxyphenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;1-[N'-[2-(2,3-dihydroxyphenyl)ethyl]carbamimidoyl]-2-methylguanidine;1-[2-(2,3-dihydroxyphenyl)ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;2-[N'-[(2,3-dihydroxyphenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine;1-[(2,3-dihydroxyphenyl)methyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-3-[2-(2,3-dihydroxyphenyl)ethyl]-1,3-dimethylguanidine;1-carbamimidoyl-2-[2-(2,3-dihydroxyphenyl)ethyl]-1-methylguanidine;1-carbamimidoyl-3-[(2,3-dihydroxyphenyl)methyl]-1,3-dimethylguanidine;3-(diaminomethylidene)-1-[2-(2,3-dihydroxyphenyl)ethyl]-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[2-(2,3-dihydroxyphenyl)ethyl]guanidine;1-(diaminomethylidene)-3-[2-(2,3-dihydroxyphenyl)ethyl]-2-methylguanidine;3-(diaminomethylidene)-1-[2-(2,3-dihydroxyphenyl)ethyl]-1-methylguanidine;3-(diaminomethylidene)-1-[(2,3-dihydroxyphenyl)methyl]-1,2-dimethylguanidine;2-[N'-[2-(2,3-dihydroxyphenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;1-[N'-[2-(2,3-dihydroxyphenyl)ethyl]carbamimidoyl]-2-methylguanidine;1-[2-(2,3-dihydroxyphenyl)ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;2-[N'-[(2,3-dihydroxyphenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine;1-[(2,3-dihydroxyphenyl)methyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine?
The IUPAC name of 1-carbamimidoyl-3-[2-(2,3-dihydroxyphenyl)ethyl]-1,3-dimethylguanidine;1-carbamimidoyl-2-[2-(2,3-dihydroxyphenyl)ethyl]-1-methylguanidine;1-carbamimidoyl-3-[(2,3-dihydroxyphenyl)methyl]-1,3-dimethylguanidine;3-(diaminomethylidene)-1-[2-(2,3-dihydroxyphenyl)ethyl]-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[2-(2,3-dihydroxyphenyl)ethyl]guanidine;1-(diaminomethylidene)-3-[2-(2,3-dihydroxyphenyl)ethyl]-2-methylguanidine;3-(diaminomethylidene)-1-[2-(2,3-dihydroxyphenyl)ethyl]-1-methylguanidine;3-(diaminomethylidene)-1-[(2,3-dihydroxyphenyl)methyl]-1,2-dimethylguanidine;2-[N'-[2-(2,3-dihydroxyphenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;1-[N'-[2-(2,3-dihydroxyphenyl)ethyl]carbamimidoyl]-2-methylguanidine;1-[2-(2,3-dihydroxyphenyl)ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;2-[N'-[(2,3-dihydroxyphenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine;1-[(2,3-dihydroxyphenyl)methyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine (CID 165109406) is 1-carbamimidoyl-3-[2-(2,3-dihydroxyphenyl)ethyl]-1,3-dimethylguanidine;1-carbamimidoyl-2-[2-(2,3-dihydroxyphenyl)ethyl]-1-methylguanidine;1-carbamimidoyl-3-[(2,3-dihydroxyphenyl)methyl]-1,3-dimethylguanidine;3-(diaminomethylidene)-1-[2-(2,3-dihydroxyphenyl)ethyl]-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[2-(2,3-dihydroxyphenyl)ethyl]guanidine;1-(diaminomethylidene)-3-[2-(2,3-dihydroxyphenyl)ethyl]-2-methylguanidine;3-(diaminomethylidene)-1-[2-(2,3-dihydroxyphenyl)ethyl]-1-methylguanidine;3-(diaminomethylidene)-1-[(2,3-dihydroxyphenyl)methyl]-1,2-dimethylguanidine;2-[N'-[2-(2,3-dihydroxyphenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;1-[N'-[2-(2,3-dihydroxyphenyl)ethyl]carbamimidoyl]-2-methylguanidine;1-[2-(2,3-dihydroxyphenyl)ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;2-[N'-[(2,3-dihydroxyphenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine;1-[(2,3-dihydroxyphenyl)methyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine.
What is the SMILES notation for 1-carbamimidoyl-3-[2-(2,3-dihydroxyphenyl)ethyl]-1,3-dimethylguanidine;1-carbamimidoyl-2-[2-(2,3-dihydroxyphenyl)ethyl]-1-methylguanidine;1-carbamimidoyl-3-[(2,3-dihydroxyphenyl)methyl]-1,3-dimethylguanidine;3-(diaminomethylidene)-1-[2-(2,3-dihydroxyphenyl)ethyl]-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[2-(2,3-dihydroxyphenyl)ethyl]guanidine;1-(diaminomethylidene)-3-[2-(2,3-dihydroxyphenyl)ethyl]-2-methylguanidine;3-(diaminomethylidene)-1-[2-(2,3-dihydroxyphenyl)ethyl]-1-methylguanidine;3-(diaminomethylidene)-1-[(2,3-dihydroxyphenyl)methyl]-1,2-dimethylguanidine;2-[N'-[2-(2,3-dihydroxyphenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;1-[N'-[2-(2,3-dihydroxyphenyl)ethyl]carbamimidoyl]-2-methylguanidine;1-[2-(2,3-dihydroxyphenyl)ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;2-[N'-[(2,3-dihydroxyphenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine;1-[(2,3-dihydroxyphenyl)methyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine?
The canonical SMILES for 1-carbamimidoyl-3-[2-(2,3-dihydroxyphenyl)ethyl]-1,3-dimethylguanidine;1-carbamimidoyl-2-[2-(2,3-dihydroxyphenyl)ethyl]-1-methylguanidine;1-carbamimidoyl-3-[(2,3-dihydroxyphenyl)methyl]-1,3-dimethylguanidine;3-(diaminomethylidene)-1-[2-(2,3-dihydroxyphenyl)ethyl]-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[2-(2,3-dihydroxyphenyl)ethyl]guanidine;1-(diaminomethylidene)-3-[2-(2,3-dihydroxyphenyl)ethyl]-2-methylguanidine;3-(diaminomethylidene)-1-[2-(2,3-dihydroxyphenyl)ethyl]-1-methylguanidine;3-(diaminomethylidene)-1-[(2,3-dihydroxyphenyl)methyl]-1,2-dimethylguanidine;2-[N'-[2-(2,3-dihydroxyphenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;1-[N'-[2-(2,3-dihydroxyphenyl)ethyl]carbamimidoyl]-2-methylguanidine;1-[2-(2,3-dihydroxyphenyl)ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;2-[N'-[(2,3-dihydroxyphenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine;1-[(2,3-dihydroxyphenyl)methyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine is C/N=C(/N=C(N)N)N(C)CCc1cccc(O)c1O.C/N=C(/N=C(N)N)N(C)Cc1cccc(O)c1O.C/N=C(/N=C(N)N)NCCc1cccc(O)c1O.C/N=C(\N)N/C(N)=N/CCc1cccc(O)c1O.C/N=C(\N)N=C(N)N(C)CCc1cccc(O)c1O.C/N=C(\N)N=C(N)N(C)Cc1cccc(O)c1O.CN(C)C(N)=N/C(N)=N/CCc1cccc(O)c1O.CN(C)C(N)=N/C(N)=N/Cc1cccc(O)c1O.NC(N)=N/C(N)=N/CCc1cccc(O)c1O.[H]/N=C(/N(C)CCc1cccc(O)c1O)N(C)/C(N)=N/[H].[H]/N=C(/N(C)Cc1cccc(O)c1O)N(C)/C(N)=N/[H].[H]/N=C(\N)N(C)/C(N)=N/CCc1cccc(O)c1O.[H]/N=C(\N=C(N)N)N(C)CCc1cccc(O)c1O.
What is the InChIKey of 1-carbamimidoyl-3-[2-(2,3-dihydroxyphenyl)ethyl]-1,3-dimethylguanidine;1-carbamimidoyl-2-[2-(2,3-dihydroxyphenyl)ethyl]-1-methylguanidine;1-carbamimidoyl-3-[(2,3-dihydroxyphenyl)methyl]-1,3-dimethylguanidine;3-(diaminomethylidene)-1-[2-(2,3-dihydroxyphenyl)ethyl]-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[2-(2,3-dihydroxyphenyl)ethyl]guanidine;1-(diaminomethylidene)-3-[2-(2,3-dihydroxyphenyl)ethyl]-2-methylguanidine;3-(diaminomethylidene)-1-[2-(2,3-dihydroxyphenyl)ethyl]-1-methylguanidine;3-(diaminomethylidene)-1-[(2,3-dihydroxyphenyl)methyl]-1,2-dimethylguanidine;2-[N'-[2-(2,3-dihydroxyphenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;1-[N'-[2-(2,3-dihydroxyphenyl)ethyl]carbamimidoyl]-2-methylguanidine;1-[2-(2,3-dihydroxyphenyl)ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;2-[N'-[(2,3-dihydroxyphenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine;1-[(2,3-dihydroxyphenyl)methyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine?
The InChIKey is ZRRVTIQVAXEBID-KNMBXNGXSA-N. The full InChI is InChI=1S/4C12H19N5O2.8C11H17N5O2.C10H15N5O2/c1-17(2)12(14)16-11(13)15-7-6-8-4-3-5-9(18)10(8)19;1-15-11(13)16-12(14)17(2)7-6-8-4-3-5-9(18)10(8)19;1-16(12(15)17(2)11(13)14)7-6-8-4-3-5-9(18)10(8)19;1-15-12(16-11(13)14)17(2)7-6-8-4-3-5-9(18)10(8)19;1-16(2)11(13)15-10(12)14-6-7-4-3-5-8(17)9(7)18;1-14-10(12)15-11(13)16(2)6-7-4-3-5-8(17)9(7)18;1-15(11(14)16(2)10(12)13)6-7-4-3-5-8(17)9(7)18;1-14-11(15-10(12)13)16(2)6-7-4-3-5-8(17)9(7)18;1-14-10(12)16-11(13)15-6-5-7-3-2-4-8(17)9(7)18;1-16(11(14)15-10(12)13)6-5-7-3-2-4-8(17)9(7)18;1-16(10(12)13)11(14)15-6-5-7-3-2-4-8(17)9(7)18;1-14-11(16-10(12)13)15-6-5-7-3-2-4-8(17)9(7)18;11-9(12)15-10(13)14-5-4-6-2-1-3-7(16)8(6)17/h2*3-5,18-19H,6-7H2,1-2H3,(H4,13,14,15,16);3-5,15,18-19H,6-7H2,1-2H3,(H3,13,14);3-5,18-19H,6-7H2,1-2H3,(H4,13,14,15,16);2*3-5,17-18H,6H2,1-2H3,(H4,12,13,14,15);3-5,14,17-18H,6H2,1-2H3,(H3,12,13);3-5,17-18H,6H2,1-2H3,(H4,12,13,14,15);2-4,17-18H,5-6H2,1H3,(H5,12,13,14,15,16);2-4,17-18H,5-6H2,1H3,(H5,12,13,14,15);2-4,17-18H,5-6H2,1H3,(H3,12,13)(H2,14,15);2-4,17-18H,5-6H2,1H3,(H5,12,13,14,15,16);1-3,16-17H,4-5H2,(H6,11,12,13,14,15)/b;;15-12-;;;;14-11-;;;;;;.
What are the key properties of 1-carbamimidoyl-3-[2-(2,3-dihydroxyphenyl)ethyl]-1,3-dimethylguanidine;1-carbamimidoyl-2-[2-(2,3-dihydroxyphenyl)ethyl]-1-methylguanidine;1-carbamimidoyl-3-[(2,3-dihydroxyphenyl)methyl]-1,3-dimethylguanidine;3-(diaminomethylidene)-1-[2-(2,3-dihydroxyphenyl)ethyl]-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[2-(2,3-dihydroxyphenyl)ethyl]guanidine;1-(diaminomethylidene)-3-[2-(2,3-dihydroxyphenyl)ethyl]-2-methylguanidine;3-(diaminomethylidene)-1-[2-(2,3-dihydroxyphenyl)ethyl]-1-methylguanidine;3-(diaminomethylidene)-1-[(2,3-dihydroxyphenyl)methyl]-1,2-dimethylguanidine;2-[N'-[2-(2,3-dihydroxyphenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;1-[N'-[2-(2,3-dihydroxyphenyl)ethyl]carbamimidoyl]-2-methylguanidine;1-[2-(2,3-dihydroxyphenyl)ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;2-[N'-[(2,3-dihydroxyphenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine;1-[(2,3-dihydroxyphenyl)methyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine?
1-carbamimidoyl-3-[2-(2,3-dihydroxyphenyl)ethyl]-1,3-dimethylguanidine;1-carbamimidoyl-2-[2-(2,3-dihydroxyphenyl)ethyl]-1-methylguanidine;1-carbamimidoyl-3-[(2,3-dihydroxyphenyl)methyl]-1,3-dimethylguanidine;3-(diaminomethylidene)-1-[2-(2,3-dihydroxyphenyl)ethyl]-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[2-(2,3-dihydroxyphenyl)ethyl]guanidine;1-(diaminomethylidene)-3-[2-(2,3-dihydroxyphenyl)ethyl]-2-methylguanidine;3-(diaminomethylidene)-1-[2-(2,3-dihydroxyphenyl)ethyl]-1-methylguanidine;3-(diaminomethylidene)-1-[(2,3-dihydroxyphenyl)methyl]-1,2-dimethylguanidine;2-[N'-[2-(2,3-dihydroxyphenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;1-[N'-[2-(2,3-dihydroxyphenyl)ethyl]carbamimidoyl]-2-methylguanidine;1-[2-(2,3-dihydroxyphenyl)ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;2-[N'-[(2,3-dihydroxyphenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine;1-[(2,3-dihydroxyphenyl)methyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine has a molecular weight of 3308.85 g/mol, XLogP of -2.75, 35 rotatable bonds, 59 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-3-[2-(2,3-dihydroxyphenyl)ethyl]-1,3-dimethylguanidine;1-carbamimidoyl-2-[2-(2,3-dihydroxyphenyl)ethyl]-1-methylguanidine;1-carbamimidoyl-3-[(2,3-dihydroxyphenyl)methyl]-1,3-dimethylguanidine;3-(diaminomethylidene)-1-[2-(2,3-dihydroxyphenyl)ethyl]-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[2-(2,3-dihydroxyphenyl)ethyl]guanidine;1-(diaminomethylidene)-3-[2-(2,3-dihydroxyphenyl)ethyl]-2-methylguanidine;3-(diaminomethylidene)-1-[2-(2,3-dihydroxyphenyl)ethyl]-1-methylguanidine;3-(diaminomethylidene)-1-[(2,3-dihydroxyphenyl)methyl]-1,2-dimethylguanidine;2-[N'-[2-(2,3-dihydroxyphenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;1-[N'-[2-(2,3-dihydroxyphenyl)ethyl]carbamimidoyl]-2-methylguanidine;1-[2-(2,3-dihydroxyphenyl)ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;2-[N'-[(2,3-dihydroxyphenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine;1-[(2,3-dihydroxyphenyl)methyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine is sourced from PubChem (CID 165109406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).