3-carbamimidoyl-1-(2-cyclopenta-1,4-dien-1-ylethyl)-1,2-dimethylguanidine;1-carbamimidoyl-2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine;1-carbamimidoyl-3-(2-cyclopenta-1,4-dien-1-ylethyl)-2-methylguanidine;2-carbamimidoyl-1-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine;1-carbamimidoyl-3-[2-(furan-3-yl)ethyl]-1,3-dimethylguanidine;1-carbamimidoyl-2-[2-(furan-3-yl)ethyl]-1-methylguanidine;1-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-2-methylguanidine;2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-(diaminomethylidene)guanidine;3-(diaminomethylidene)-1-[2-(furan-3-yl)ethyl]-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[2-(furan-3-yl)ethyl]guanidine;1-(diaminomethylidene)-3-[2-(furan-3-yl)ethyl]-2-methylguanidine;3-(diaminomethylidene)-1-[2-(furan-3-yl)ethyl]-1-methylguanidine;2-[N'-[2-(furan-3-yl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;1-[N'-[2-(furan-3-yl)ethyl]carbamimidoyl]-2-methylguanidine;1-[2-(furan-3-yl)ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine

C144H243N75O9 — CID 176543040

IUPAC3-carbamimidoyl-1-(2-cyclopenta-1,4-dien-1-ylethyl)-1,2-dimethylguanidine;1-carbamimidoyl-2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine;1-carbamimidoyl-3-(2-cyclopenta-1,4-dien-1-ylethyl)-2-methylguanidine;2-carbamimidoyl-1-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine;1-carbamimidoyl-3-[2-(furan-3-yl)ethyl]-1,3-dimethylguanidine;1-carbamimidoyl-2-[2-(furan-3-yl)ethyl]-1-methylguanidine;1-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-2-methylguanidine;2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-(diaminomethylidene)guanidine;3-(diaminomethylidene)-1-[2-(furan-3-yl)ethyl]-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[2-(furan-3-yl)ethyl]guanidine;1-(diaminomethylidene)-3-[2-(furan-3-yl)ethyl]-2-methylguanidine;3-(diaminomethylidene)-1-[2-(furan-3-yl)ethyl]-1-methylguanidine;2-[N'-[2-(furan-3-yl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;1-[N'-[2-(furan-3-yl)ethyl]carbamimidoyl]-2-methylguanidine;1-[2-(furan-3-yl)ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine
SMILESC/N=C(/N=C(N)N)N(C)CCc1ccoc1.C/N=C(/N=C(N)N)NCCc1ccoc1.C/N=C(\N)N/C(N)=N/CCC1=CCC=C1.C/N=C(\N)N/C(N)=N/CCc1ccoc1.C/N=C(\N)N=C(N)N(C)CCc1ccoc1.CN(C)C(N)=N/C(N)=N/CCc1ccoc1.NC(N)=N/C(N)=N/CCC1=CCC=C1.NC(N)=N/C(N)=N/CCc1ccoc1.[H]/N=C(/N(C)CCc1ccoc1)N(C)/C(N)=N/[H].[H]/N=C(/N=C(N)N)N(C)CCc1ccoc1.[H]/N=C(\N)N(C)/C(N)=N/CCC1=CCC=C1.[H]/N=C(\N)N(C)/C(N)=N/CCc1ccoc1.[H]/N=C(\N)N/C(=N\C)N(C)CCC1=CCC=C1.[H]/N=C(\N)N/C(=N\C)NCCC1=CCC=C1.[H]/N=C(\N)N=C(N)N(C)CCC1=CCC=C1
InChIInChI=1S/C11H19N5.4C10H17N5O.4C10H17N5.4C9H15N5O.C9H15N5.C8H13N5O/c1-14-11(15-10(12)13)16(2)8-7-9-5-3-4-6-9;1-15(2)10(12)14-9(11)13-5-3-8-4-6-16-7-8;1-13-9(11)14-10(12)15(2)5-3-8-4-6-16-7-8;1-14(10(13)15(2)9(11)12)5-3-8-4-6-16-7-8;1-13-10(14-9(11)12)15(2)5-3-8-4-6-16-7-8;1-13-9(11)15-10(12)14-7-6-8-4-2-3-5-8;1-15(10(13)14-9(11)12)7-6-8-4-2-3-5-8;1-15(9(11)12)10(13)14-7-6-8-4-2-3-5-8;1-13-10(15-9(11)12)14-7-6-8-4-2-3-5-8;1-12-8(10)14-9(11)13-4-2-7-3-5-15-6-7;1-14(9(12)13-8(10)11)4-2-7-3-5-15-6-7;1-14(8(10)11)9(12)13-4-2-7-3-5-15-6-7;1-12-9(14-8(10)11)13-4-2-7-3-5-15-6-7;10-8(11)14-9(12)13-6-5-7-3-1-2-4-7;9-7(10)13-8(11)12-3-1-6-2-4-14-5-6/h3,5-6H,4,7-8H2,1-2H3,(H4,12,13,14,15);2*4,6-7H,3,5H2,1-2H3,(H4,11,12,13,14);4,6-7,13H,3,5H2,1-2H3,(H3,11,12);4,6-7H,3,5H2,1-2H3,(H4,11,12,13,14);2,4-5H,3,6-7H2,1H3,(H5,11,12,13,14,15);2,4-5H,3,6-7H2,1H3,(H5,11,12,13,14);2,4-5H,3,6-7H2,1H3,(H3,11,12)(H2,13,14);2,4-5H,3,6-7H2,1H3,(H5,11,12,13,14,15);3,5-6H,2,4H2,1H3,(H5,10,11,12,13,14);3,5-6H,2,4H2,1H3,(H5,10,11,12,13);3,5-6H,2,4H2,1H3,(H3,10,11)(H2,12,13);3,5-6H,2,4H2,1H3,(H5,10,11,12,13,14);1,3-4H,2,5-6H2,(H6,10,11,12,13,14);2,4-5H,1,3H2,(H6,9,10,11,12,13)/b;;;13-10-;;;;;;;;;;;
InChIKeyZTYLYVACGIAYDM-ZKALBAQXSA-N
MW3169.04 g/mol
LogP0.98
Rot. Bonds45

About 3-carbamimidoyl-1-(2-cyclopenta-1,4-dien-1-ylethyl)-1,2-dimethylguanidine;1-carbamimidoyl-2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine;1-carbamimidoyl-3-(2-cyclopenta-1,4-dien-1-ylethyl)-2-methylguanidine;2-carbamimidoyl-1-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine;1-carbamimidoyl-3-[2-(furan-3-yl)ethyl]-1,3-dimethylguanidine;1-carbamimidoyl-2-[2-(furan-3-yl)ethyl]-1-methylguanidine;1-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-2-methylguanidine;2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-(diaminomethylidene)guanidine;3-(diaminomethylidene)-1-[2-(furan-3-yl)ethyl]-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[2-(furan-3-yl)ethyl]guanidine;1-(diaminomethylidene)-3-[2-(furan-3-yl)ethyl]-2-methylguanidine;3-(diaminomethylidene)-1-[2-(furan-3-yl)ethyl]-1-methylguanidine;2-[N'-[2-(furan-3-yl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;1-[N'-[2-(furan-3-yl)ethyl]carbamimidoyl]-2-methylguanidine;1-[2-(furan-3-yl)ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine

3-carbamimidoyl-1-(2-cyclopenta-1,4-dien-1-ylethyl)-1,2-dimethylguanidine;1-carbamimidoyl-2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine;1-carbamimidoyl-3-(2-cyclopenta-1,4-dien-1-ylethyl)-2-methylguanidine;2-carbamimidoyl-1-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine;1-carbamimidoyl-3-[2-(furan-3-yl)ethyl]-1,3-dimethylguanidine;1-carbamimidoyl-2-[2-(furan-3-yl)ethyl]-1-methylguanidine;1-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-2-methylguanidine;2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-(diaminomethylidene)guanidine;3-(diaminomethylidene)-1-[2-(furan-3-yl)ethyl]-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[2-(furan-3-yl)ethyl]guanidine;1-(diaminomethylidene)-3-[2-(furan-3-yl)ethyl]-2-methylguanidine;3-(diaminomethylidene)-1-[2-(furan-3-yl)ethyl]-1-methylguanidine;2-[N'-[2-(furan-3-yl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;1-[N'-[2-(furan-3-yl)ethyl]carbamimidoyl]-2-methylguanidine;1-[2-(furan-3-yl)ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine (PubChem CID 176543040) has the molecular formula C144H243N75O9 and a molecular weight of 3169.04 g/mol. Its IUPAC name is 3-carbamimidoyl-1-(2-cyclopenta-1,4-dien-1-ylethyl)-1,2-dimethylguanidine;1-carbamimidoyl-2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine;1-carbamimidoyl-3-(2-cyclopenta-1,4-dien-1-ylethyl)-2-methylguanidine;2-carbamimidoyl-1-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine;1-carbamimidoyl-3-[2-(furan-3-yl)ethyl]-1,3-dimethylguanidine;1-carbamimidoyl-2-[2-(furan-3-yl)ethyl]-1-methylguanidine;1-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-2-methylguanidine;2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-(diaminomethylidene)guanidine;3-(diaminomethylidene)-1-[2-(furan-3-yl)ethyl]-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[2-(furan-3-yl)ethyl]guanidine;1-(diaminomethylidene)-3-[2-(furan-3-yl)ethyl]-2-methylguanidine;3-(diaminomethylidene)-1-[2-(furan-3-yl)ethyl]-1-methylguanidine;2-[N'-[2-(furan-3-yl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;1-[N'-[2-(furan-3-yl)ethyl]carbamimidoyl]-2-methylguanidine;1-[2-(furan-3-yl)ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine.

Molecular Properties

Compound Name3-carbamimidoyl-1-(2-cyclopenta-1,4-dien-1-ylethyl)-1,2-dimethylguanidine;1-carbamimidoyl-2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine;1-carbamimidoyl-3-(2-cyclopenta-1,4-dien-1-ylethyl)-2-methylguanidine;2-carbamimidoyl-1-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine;1-carbamimidoyl-3-[2-(furan-3-yl)ethyl]-1,3-dimethylguanidine;1-carbamimidoyl-2-[2-(furan-3-yl)ethyl]-1-methylguanidine;1-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-2-methylguanidine;2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-(diaminomethylidene)guanidine;3-(diaminomethylidene)-1-[2-(furan-3-yl)ethyl]-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[2-(furan-3-yl)ethyl]guanidine;1-(diaminomethylidene)-3-[2-(furan-3-yl)ethyl]-2-methylguanidine;3-(diaminomethylidene)-1-[2-(furan-3-yl)ethyl]-1-methylguanidine;2-[N'-[2-(furan-3-yl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;1-[N'-[2-(furan-3-yl)ethyl]carbamimidoyl]-2-methylguanidine;1-[2-(furan-3-yl)ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine
PubChem CID176543040
Molecular FormulaC144H243N75O9
Molecular Weight3169.04 g/mol
Exact Mass3167.09
IUPAC Name3-carbamimidoyl-1-(2-cyclopenta-1,4-dien-1-ylethyl)-1,2-dimethylguanidine;1-carbamimidoyl-2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine;1-carbamimidoyl-3-(2-cyclopenta-1,4-dien-1-ylethyl)-2-methylguanidine;2-carbamimidoyl-1-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine;1-carbamimidoyl-3-[2-(furan-3-yl)ethyl]-1,3-dimethylguanidine;1-carbamimidoyl-2-[2-(furan-3-yl)ethyl]-1-methylguanidine;1-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-2-methylguanidine;2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-(diaminomethylidene)guanidine;3-(diaminomethylidene)-1-[2-(furan-3-yl)ethyl]-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[2-(furan-3-yl)ethyl]guanidine;1-(diaminomethylidene)-3-[2-(furan-3-yl)ethyl]-2-methylguanidine;3-(diaminomethylidene)-1-[2-(furan-3-yl)ethyl]-1-methylguanidine;2-[N'-[2-(furan-3-yl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;1-[N'-[2-(furan-3-yl)ethyl]carbamimidoyl]-2-methylguanidine;1-[2-(furan-3-yl)ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine
SMILESC/N=C(/N=C(N)N)N(C)CCc1ccoc1.C/N=C(/N=C(N)N)NCCc1ccoc1.C/N=C(\N)N/C(N)=N/CCC1=CCC=C1.C/N=C(\N)N/C(N)=N/CCc1ccoc1.C/N=C(\N)N=C(N)N(C)CCc1ccoc1.CN(C)C(N)=N/C(N)=N/CCc1ccoc1.NC(N)=N/C(N)=N/CCC1=CCC=C1.NC(N)=N/C(N)=N/CCc1ccoc1.[H]/N=C(/N(C)CCc1ccoc1)N(C)/C(N)=N/[H].[H]/N=C(/N=C(N)N)N(C)CCc1ccoc1.[H]/N=C(\N)N(C)/C(N)=N/CCC1=CCC=C1.[H]/N=C(\N)N(C)/C(N)=N/CCc1ccoc1.[H]/N=C(\N)N/C(=N\C)N(C)CCC1=CCC=C1.[H]/N=C(\N)N/C(=N\C)NCCC1=CCC=C1.[H]/N=C(\N)N=C(N)N(C)CCC1=CCC=C1
InChIInChI=1S/C11H19N5.4C10H17N5O.4C10H17N5.4C9H15N5O.C9H15N5.C8H13N5O/c1-14-11(15-10(12)13)16(2)8-7-9-5-3-4-6-9;1-15(2)10(12)14-9(11)13-5-3-8-4-6-16-7-8;1-13-9(11)14-10(12)15(2)5-3-8-4-6-16-7-8;1-14(10(13)15(2)9(11)12)5-3-8-4-6-16-7-8;1-13-10(14-9(11)12)15(2)5-3-8-4-6-16-7-8;1-13-9(11)15-10(12)14-7-6-8-4-2-3-5-8;1-15(10(13)14-9(11)12)7-6-8-4-2-3-5-8;1-15(9(11)12)10(13)14-7-6-8-4-2-3-5-8;1-13-10(15-9(11)12)14-7-6-8-4-2-3-5-8;1-12-8(10)14-9(11)13-4-2-7-3-5-15-6-7;1-14(9(12)13-8(10)11)4-2-7-3-5-15-6-7;1-14(8(10)11)9(12)13-4-2-7-3-5-15-6-7;1-12-9(14-8(10)11)13-4-2-7-3-5-15-6-7;10-8(11)14-9(12)13-6-5-7-3-1-2-4-7;9-7(10)13-8(11)12-3-1-6-2-4-14-5-6/h3,5-6H,4,7-8H2,1-2H3,(H4,12,13,14,15);2*4,6-7H,3,5H2,1-2H3,(H4,11,12,13,14);4,6-7,13H,3,5H2,1-2H3,(H3,11,12);4,6-7H,3,5H2,1-2H3,(H4,11,12,13,14);2,4-5H,3,6-7H2,1H3,(H5,11,12,13,14,15);2,4-5H,3,6-7H2,1H3,(H5,11,12,13,14);2,4-5H,3,6-7H2,1H3,(H3,11,12)(H2,13,14);2,4-5H,3,6-7H2,1H3,(H5,11,12,13,14,15);3,5-6H,2,4H2,1H3,(H5,10,11,12,13,14);3,5-6H,2,4H2,1H3,(H5,10,11,12,13);3,5-6H,2,4H2,1H3,(H3,10,11)(H2,12,13);3,5-6H,2,4H2,1H3,(H5,10,11,12,13,14);1,3-4H,2,5-6H2,(H6,10,11,12,13,14);2,4-5H,1,3H2,(H6,9,10,11,12,13)/b;;;13-10-;;;;;;;;;;;
InChIKeyZTYLYVACGIAYDM-ZKALBAQXSA-N
XLogP0.98
TPSA1440.14 Ų
H-Bond Donors43
H-Bond Acceptors31
Rotatable Bonds45
Heavy Atoms228
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003169.04
LogP ≤ 50.98
H-Bond Donors ≤ 543
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-carbamimidoyl-1-(2-cyclopenta-1,4-dien-1-ylethyl)-1,2-dimethylguanidine;1-carbamimidoyl-2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine;1-carbamimidoyl-3-(2-cyclopenta-1,4-dien-1-ylethyl)-2-methylguanidine;2-carbamimidoyl-1-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine;1-carbamimidoyl-3-[2-(furan-3-yl)ethyl]-1,3-dimethylguanidine;1-carbamimidoyl-2-[2-(furan-3-yl)ethyl]-1-methylguanidine;1-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-2-methylguanidine;2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-(diaminomethylidene)guanidine;3-(diaminomethylidene)-1-[2-(furan-3-yl)ethyl]-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[2-(furan-3-yl)ethyl]guanidine;1-(diaminomethylidene)-3-[2-(furan-3-yl)ethyl]-2-methylguanidine;3-(diaminomethylidene)-1-[2-(furan-3-yl)ethyl]-1-methylguanidine;2-[N'-[2-(furan-3-yl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;1-[N'-[2-(furan-3-yl)ethyl]carbamimidoyl]-2-methylguanidine;1-[2-(furan-3-yl)ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-carbamimidoyl-1-(2-cyclopenta-1,4-dien-1-ylethyl)-1,2-dimethylguanidine;1-carbamimidoyl-2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine;1-carbamimidoyl-3-(2-cyclopenta-1,4-dien-1-ylethyl)-2-methylguanidine;2-carbamimidoyl-1-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine;1-carbamimidoyl-3-[2-(furan-3-yl)ethyl]-1,3-dimethylguanidine;1-carbamimidoyl-2-[2-(furan-3-yl)ethyl]-1-methylguanidine;1-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-2-methylguanidine;2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-(diaminomethylidene)guanidine;3-(diaminomethylidene)-1-[2-(furan-3-yl)ethyl]-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[2-(furan-3-yl)ethyl]guanidine;1-(diaminomethylidene)-3-[2-(furan-3-yl)ethyl]-2-methylguanidine;3-(diaminomethylidene)-1-[2-(furan-3-yl)ethyl]-1-methylguanidine;2-[N'-[2-(furan-3-yl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;1-[N'-[2-(furan-3-yl)ethyl]carbamimidoyl]-2-methylguanidine;1-[2-(furan-3-yl)ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine?
The IUPAC name of 3-carbamimidoyl-1-(2-cyclopenta-1,4-dien-1-ylethyl)-1,2-dimethylguanidine;1-carbamimidoyl-2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine;1-carbamimidoyl-3-(2-cyclopenta-1,4-dien-1-ylethyl)-2-methylguanidine;2-carbamimidoyl-1-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine;1-carbamimidoyl-3-[2-(furan-3-yl)ethyl]-1,3-dimethylguanidine;1-carbamimidoyl-2-[2-(furan-3-yl)ethyl]-1-methylguanidine;1-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-2-methylguanidine;2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-(diaminomethylidene)guanidine;3-(diaminomethylidene)-1-[2-(furan-3-yl)ethyl]-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[2-(furan-3-yl)ethyl]guanidine;1-(diaminomethylidene)-3-[2-(furan-3-yl)ethyl]-2-methylguanidine;3-(diaminomethylidene)-1-[2-(furan-3-yl)ethyl]-1-methylguanidine;2-[N'-[2-(furan-3-yl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;1-[N'-[2-(furan-3-yl)ethyl]carbamimidoyl]-2-methylguanidine;1-[2-(furan-3-yl)ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine (CID 176543040) is 3-carbamimidoyl-1-(2-cyclopenta-1,4-dien-1-ylethyl)-1,2-dimethylguanidine;1-carbamimidoyl-2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine;1-carbamimidoyl-3-(2-cyclopenta-1,4-dien-1-ylethyl)-2-methylguanidine;2-carbamimidoyl-1-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine;1-carbamimidoyl-3-[2-(furan-3-yl)ethyl]-1,3-dimethylguanidine;1-carbamimidoyl-2-[2-(furan-3-yl)ethyl]-1-methylguanidine;1-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-2-methylguanidine;2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-(diaminomethylidene)guanidine;3-(diaminomethylidene)-1-[2-(furan-3-yl)ethyl]-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[2-(furan-3-yl)ethyl]guanidine;1-(diaminomethylidene)-3-[2-(furan-3-yl)ethyl]-2-methylguanidine;3-(diaminomethylidene)-1-[2-(furan-3-yl)ethyl]-1-methylguanidine;2-[N'-[2-(furan-3-yl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;1-[N'-[2-(furan-3-yl)ethyl]carbamimidoyl]-2-methylguanidine;1-[2-(furan-3-yl)ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine.
What is the SMILES notation for 3-carbamimidoyl-1-(2-cyclopenta-1,4-dien-1-ylethyl)-1,2-dimethylguanidine;1-carbamimidoyl-2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine;1-carbamimidoyl-3-(2-cyclopenta-1,4-dien-1-ylethyl)-2-methylguanidine;2-carbamimidoyl-1-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine;1-carbamimidoyl-3-[2-(furan-3-yl)ethyl]-1,3-dimethylguanidine;1-carbamimidoyl-2-[2-(furan-3-yl)ethyl]-1-methylguanidine;1-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-2-methylguanidine;2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-(diaminomethylidene)guanidine;3-(diaminomethylidene)-1-[2-(furan-3-yl)ethyl]-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[2-(furan-3-yl)ethyl]guanidine;1-(diaminomethylidene)-3-[2-(furan-3-yl)ethyl]-2-methylguanidine;3-(diaminomethylidene)-1-[2-(furan-3-yl)ethyl]-1-methylguanidine;2-[N'-[2-(furan-3-yl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;1-[N'-[2-(furan-3-yl)ethyl]carbamimidoyl]-2-methylguanidine;1-[2-(furan-3-yl)ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine?
The canonical SMILES for 3-carbamimidoyl-1-(2-cyclopenta-1,4-dien-1-ylethyl)-1,2-dimethylguanidine;1-carbamimidoyl-2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine;1-carbamimidoyl-3-(2-cyclopenta-1,4-dien-1-ylethyl)-2-methylguanidine;2-carbamimidoyl-1-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine;1-carbamimidoyl-3-[2-(furan-3-yl)ethyl]-1,3-dimethylguanidine;1-carbamimidoyl-2-[2-(furan-3-yl)ethyl]-1-methylguanidine;1-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-2-methylguanidine;2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-(diaminomethylidene)guanidine;3-(diaminomethylidene)-1-[2-(furan-3-yl)ethyl]-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[2-(furan-3-yl)ethyl]guanidine;1-(diaminomethylidene)-3-[2-(furan-3-yl)ethyl]-2-methylguanidine;3-(diaminomethylidene)-1-[2-(furan-3-yl)ethyl]-1-methylguanidine;2-[N'-[2-(furan-3-yl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;1-[N'-[2-(furan-3-yl)ethyl]carbamimidoyl]-2-methylguanidine;1-[2-(furan-3-yl)ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine is C/N=C(/N=C(N)N)N(C)CCc1ccoc1.C/N=C(/N=C(N)N)NCCc1ccoc1.C/N=C(\N)N/C(N)=N/CCC1=CCC=C1.C/N=C(\N)N/C(N)=N/CCc1ccoc1.C/N=C(\N)N=C(N)N(C)CCc1ccoc1.CN(C)C(N)=N/C(N)=N/CCc1ccoc1.NC(N)=N/C(N)=N/CCC1=CCC=C1.NC(N)=N/C(N)=N/CCc1ccoc1.[H]/N=C(/N(C)CCc1ccoc1)N(C)/C(N)=N/[H].[H]/N=C(/N=C(N)N)N(C)CCc1ccoc1.[H]/N=C(\N)N(C)/C(N)=N/CCC1=CCC=C1.[H]/N=C(\N)N(C)/C(N)=N/CCc1ccoc1.[H]/N=C(\N)N/C(=N\C)N(C)CCC1=CCC=C1.[H]/N=C(\N)N/C(=N\C)NCCC1=CCC=C1.[H]/N=C(\N)N=C(N)N(C)CCC1=CCC=C1.
What is the InChIKey of 3-carbamimidoyl-1-(2-cyclopenta-1,4-dien-1-ylethyl)-1,2-dimethylguanidine;1-carbamimidoyl-2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine;1-carbamimidoyl-3-(2-cyclopenta-1,4-dien-1-ylethyl)-2-methylguanidine;2-carbamimidoyl-1-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine;1-carbamimidoyl-3-[2-(furan-3-yl)ethyl]-1,3-dimethylguanidine;1-carbamimidoyl-2-[2-(furan-3-yl)ethyl]-1-methylguanidine;1-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-2-methylguanidine;2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-(diaminomethylidene)guanidine;3-(diaminomethylidene)-1-[2-(furan-3-yl)ethyl]-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[2-(furan-3-yl)ethyl]guanidine;1-(diaminomethylidene)-3-[2-(furan-3-yl)ethyl]-2-methylguanidine;3-(diaminomethylidene)-1-[2-(furan-3-yl)ethyl]-1-methylguanidine;2-[N'-[2-(furan-3-yl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;1-[N'-[2-(furan-3-yl)ethyl]carbamimidoyl]-2-methylguanidine;1-[2-(furan-3-yl)ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine?
The InChIKey is ZTYLYVACGIAYDM-ZKALBAQXSA-N. The full InChI is InChI=1S/C11H19N5.4C10H17N5O.4C10H17N5.4C9H15N5O.C9H15N5.C8H13N5O/c1-14-11(15-10(12)13)16(2)8-7-9-5-3-4-6-9;1-15(2)10(12)14-9(11)13-5-3-8-4-6-16-7-8;1-13-9(11)14-10(12)15(2)5-3-8-4-6-16-7-8;1-14(10(13)15(2)9(11)12)5-3-8-4-6-16-7-8;1-13-10(14-9(11)12)15(2)5-3-8-4-6-16-7-8;1-13-9(11)15-10(12)14-7-6-8-4-2-3-5-8;1-15(10(13)14-9(11)12)7-6-8-4-2-3-5-8;1-15(9(11)12)10(13)14-7-6-8-4-2-3-5-8;1-13-10(15-9(11)12)14-7-6-8-4-2-3-5-8;1-12-8(10)14-9(11)13-4-2-7-3-5-15-6-7;1-14(9(12)13-8(10)11)4-2-7-3-5-15-6-7;1-14(8(10)11)9(12)13-4-2-7-3-5-15-6-7;1-12-9(14-8(10)11)13-4-2-7-3-5-15-6-7;10-8(11)14-9(12)13-6-5-7-3-1-2-4-7;9-7(10)13-8(11)12-3-1-6-2-4-14-5-6/h3,5-6H,4,7-8H2,1-2H3,(H4,12,13,14,15);2*4,6-7H,3,5H2,1-2H3,(H4,11,12,13,14);4,6-7,13H,3,5H2,1-2H3,(H3,11,12);4,6-7H,3,5H2,1-2H3,(H4,11,12,13,14);2,4-5H,3,6-7H2,1H3,(H5,11,12,13,14,15);2,4-5H,3,6-7H2,1H3,(H5,11,12,13,14);2,4-5H,3,6-7H2,1H3,(H3,11,12)(H2,13,14);2,4-5H,3,6-7H2,1H3,(H5,11,12,13,14,15);3,5-6H,2,4H2,1H3,(H5,10,11,12,13,14);3,5-6H,2,4H2,1H3,(H5,10,11,12,13);3,5-6H,2,4H2,1H3,(H3,10,11)(H2,12,13);3,5-6H,2,4H2,1H3,(H5,10,11,12,13,14);1,3-4H,2,5-6H2,(H6,10,11,12,13,14);2,4-5H,1,3H2,(H6,9,10,11,12,13)/b;;;13-10-;;;;;;;;;;;.
What are the key properties of 3-carbamimidoyl-1-(2-cyclopenta-1,4-dien-1-ylethyl)-1,2-dimethylguanidine;1-carbamimidoyl-2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine;1-carbamimidoyl-3-(2-cyclopenta-1,4-dien-1-ylethyl)-2-methylguanidine;2-carbamimidoyl-1-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine;1-carbamimidoyl-3-[2-(furan-3-yl)ethyl]-1,3-dimethylguanidine;1-carbamimidoyl-2-[2-(furan-3-yl)ethyl]-1-methylguanidine;1-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-2-methylguanidine;2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-(diaminomethylidene)guanidine;3-(diaminomethylidene)-1-[2-(furan-3-yl)ethyl]-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[2-(furan-3-yl)ethyl]guanidine;1-(diaminomethylidene)-3-[2-(furan-3-yl)ethyl]-2-methylguanidine;3-(diaminomethylidene)-1-[2-(furan-3-yl)ethyl]-1-methylguanidine;2-[N'-[2-(furan-3-yl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;1-[N'-[2-(furan-3-yl)ethyl]carbamimidoyl]-2-methylguanidine;1-[2-(furan-3-yl)ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine?
3-carbamimidoyl-1-(2-cyclopenta-1,4-dien-1-ylethyl)-1,2-dimethylguanidine;1-carbamimidoyl-2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine;1-carbamimidoyl-3-(2-cyclopenta-1,4-dien-1-ylethyl)-2-methylguanidine;2-carbamimidoyl-1-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine;1-carbamimidoyl-3-[2-(furan-3-yl)ethyl]-1,3-dimethylguanidine;1-carbamimidoyl-2-[2-(furan-3-yl)ethyl]-1-methylguanidine;1-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-2-methylguanidine;2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-(diaminomethylidene)guanidine;3-(diaminomethylidene)-1-[2-(furan-3-yl)ethyl]-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[2-(furan-3-yl)ethyl]guanidine;1-(diaminomethylidene)-3-[2-(furan-3-yl)ethyl]-2-methylguanidine;3-(diaminomethylidene)-1-[2-(furan-3-yl)ethyl]-1-methylguanidine;2-[N'-[2-(furan-3-yl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;1-[N'-[2-(furan-3-yl)ethyl]carbamimidoyl]-2-methylguanidine;1-[2-(furan-3-yl)ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine has a molecular weight of 3169.04 g/mol, XLogP of 0.98, 45 rotatable bonds, 43 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamimidoyl-1-(2-cyclopenta-1,4-dien-1-ylethyl)-1,2-dimethylguanidine;1-carbamimidoyl-2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine;1-carbamimidoyl-3-(2-cyclopenta-1,4-dien-1-ylethyl)-2-methylguanidine;2-carbamimidoyl-1-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methylguanidine;1-carbamimidoyl-3-[2-(furan-3-yl)ethyl]-1,3-dimethylguanidine;1-carbamimidoyl-2-[2-(furan-3-yl)ethyl]-1-methylguanidine;1-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-2-methylguanidine;2-(2-cyclopenta-1,4-dien-1-ylethyl)-1-(diaminomethylidene)guanidine;3-(diaminomethylidene)-1-[2-(furan-3-yl)ethyl]-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[2-(furan-3-yl)ethyl]guanidine;1-(diaminomethylidene)-3-[2-(furan-3-yl)ethyl]-2-methylguanidine;3-(diaminomethylidene)-1-[2-(furan-3-yl)ethyl]-1-methylguanidine;2-[N'-[2-(furan-3-yl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;1-[N'-[2-(furan-3-yl)ethyl]carbamimidoyl]-2-methylguanidine;1-[2-(furan-3-yl)ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine is sourced from PubChem (CID 176543040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).