1-carbamimidoyl-1,3-dimethyl-3-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-carbamimidoyl-1,3-dimethyl-3-(thiophen-3-ylmethyl)guanidine;1-carbamimidoyl-1-methyl-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[(5-methylfuran-2-yl)methyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1,1-dimethyl-2-[N'-[(5-methyl-1H-pyrrol-2-yl)methyl]carbamimidoyl]guanidine;1,1-dimethyl-2-[N'-(thiophen-3-ylmethyl)carbamimidoyl]guanidine;1-(N'-methylcarbamimidoyl)-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(thiophen-3-ylmethyl)guanidine

C137H238N84O3S3 — CID 159704156

IUPAC1-carbamimidoyl-1,3-dimethyl-3-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-carbamimidoyl-1,3-dimethyl-3-(thiophen-3-ylmethyl)guanidine;1-carbamimidoyl-1-methyl-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[(5-methylfuran-2-yl)methyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1,1-dimethyl-2-[N'-[(5-methyl-1H-pyrrol-2-yl)methyl]carbamimidoyl]guanidine;1,1-dimethyl-2-[N'-(thiophen-3-ylmethyl)carbamimidoyl]guanidine;1-(N'-methylcarbamimidoyl)-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(thiophen-3-ylmethyl)guanidine
SMILESC/N=C(/N=C(N)N)N(C)Cc1ccc(C)[nH]1.C/N=C(/N=C(N)N)NCc1ccc(C)[nH]1.C/N=C(/N=C(N)N)NCc1ccc(C)o1.C/N=C(\N)N/C(N)=N/Cc1ccc(C)[nH]1.C/N=C(\N)N=C(N)N(C)Cc1ccc(C)[nH]1.C/N=C(\N)N=C(N)N(C)Cc1ccsc1.CN(C)C(N)=N/C(N)=N/Cc1ccsc1.Cc1ccc(C/N=C(\N)N=C(N)N(C)C)[nH]1.Cc1ccc(C/N=C(\N)N=C(N)N)[nH]1.Cc1ccc(C/N=C(\N)N=C(N)N)o1.[H]/N=C(/N(C)Cc1ccc(C)[nH]1)N(C)/C(N)=N/[H].[H]/N=C(/N(C)Cc1ccsc1)N(C)/C(N)=N/[H].[H]/N=C(/N=C(N)N)N(C)Cc1ccc(C)o1.[H]/N=C(\N)N(C)/C(N)=N/Cc1ccc(C)[nH]1.[H]/N=C(\N=C(N)N)N(C)Cc1ccc(C)[nH]1
InChIInChI=1S/4C10H18N6.4C9H16N6.2C9H15N5O.3C9H15N5S.C8H14N6.C8H13N5O/c1-7-4-5-8(14-7)6-13-9(11)15-10(12)16(2)3;1-7-4-5-8(14-7)6-16(3)10(12)15-9(11)13-2;1-7-4-5-8(14-7)6-15(2)10(13)16(3)9(11)12;1-7-4-5-8(14-7)6-16(3)10(13-2)15-9(11)12;1-6-3-4-7(14-6)5-13-9(11)15-8(10)12-2;1-6-3-4-7(13-6)5-15(2)9(12)14-8(10)11;1-6-3-4-7(14-6)5-13-9(12)15(2)8(10)11;1-6-3-4-7(14-6)5-13-9(12-2)15-8(10)11;1-6-3-4-7(15-6)5-14(2)9(12)13-8(10)11;1-6-3-4-7(15-6)5-13-9(12-2)14-8(10)11;1-14(2)9(11)13-8(10)12-5-7-3-4-15-6-7;1-12-8(10)13-9(11)14(2)5-7-3-4-15-6-7;1-13(5-7-3-4-15-6-7)9(12)14(2)8(10)11;1-5-2-3-6(13-5)4-12-8(11)14-7(9)10;1-5-2-3-6(14-5)4-12-8(11)13-7(9)10/h2*4-5,14H,6H2,1-3H3,(H4,11,12,13,15);4-5,13-14H,6H2,1-3H3,(H3,11,12);4-5,14H,6H2,1-3H3,(H4,11,12,13,15);3-4,14H,5H2,1-2H3,(H5,10,11,12,13,15);3-4,13H,5H2,1-2H3,(H5,10,11,12,14);3-4,14H,5H2,1-2H3,(H3,10,11)(H2,12,13);3-4,14H,5H2,1-2H3,(H5,10,11,12,13,15);3-4H,5H2,1-2H3,(H5,10,11,12,13);3-4H,5H2,1-2H3,(H5,10,11,12,13,14);2*3-4,6H,5H2,1-2H3,(H4,10,11,12,13);3-4,6,12H,5H2,1-2H3,(H3,10,11);2-3,13H,4H2,1H3,(H6,9,10,11,12,14);2-3H,4H2,1H3,(H6,9,10,11,12,13)/b;;13-10-;;;;;;;;;;12-9-;;
InChIKeyMXZOPYXVDUWAJS-BNYVUNARSA-N
MW3206.20 g/mol
LogP0.90
Rot. Bonds30

About 1-carbamimidoyl-1,3-dimethyl-3-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-carbamimidoyl-1,3-dimethyl-3-(thiophen-3-ylmethyl)guanidine;1-carbamimidoyl-1-methyl-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[(5-methylfuran-2-yl)methyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1,1-dimethyl-2-[N'-[(5-methyl-1H-pyrrol-2-yl)methyl]carbamimidoyl]guanidine;1,1-dimethyl-2-[N'-(thiophen-3-ylmethyl)carbamimidoyl]guanidine;1-(N'-methylcarbamimidoyl)-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(thiophen-3-ylmethyl)guanidine

1-carbamimidoyl-1,3-dimethyl-3-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-carbamimidoyl-1,3-dimethyl-3-(thiophen-3-ylmethyl)guanidine;1-carbamimidoyl-1-methyl-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[(5-methylfuran-2-yl)methyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1,1-dimethyl-2-[N'-[(5-methyl-1H-pyrrol-2-yl)methyl]carbamimidoyl]guanidine;1,1-dimethyl-2-[N'-(thiophen-3-ylmethyl)carbamimidoyl]guanidine;1-(N'-methylcarbamimidoyl)-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(thiophen-3-ylmethyl)guanidine (PubChem CID 159704156) has the molecular formula C137H238N84O3S3 and a molecular weight of 3206.20 g/mol. Its IUPAC name is 1-carbamimidoyl-1,3-dimethyl-3-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-carbamimidoyl-1,3-dimethyl-3-(thiophen-3-ylmethyl)guanidine;1-carbamimidoyl-1-methyl-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[(5-methylfuran-2-yl)methyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1,1-dimethyl-2-[N'-[(5-methyl-1H-pyrrol-2-yl)methyl]carbamimidoyl]guanidine;1,1-dimethyl-2-[N'-(thiophen-3-ylmethyl)carbamimidoyl]guanidine;1-(N'-methylcarbamimidoyl)-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(thiophen-3-ylmethyl)guanidine.

Molecular Properties

Compound Name1-carbamimidoyl-1,3-dimethyl-3-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-carbamimidoyl-1,3-dimethyl-3-(thiophen-3-ylmethyl)guanidine;1-carbamimidoyl-1-methyl-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[(5-methylfuran-2-yl)methyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1,1-dimethyl-2-[N'-[(5-methyl-1H-pyrrol-2-yl)methyl]carbamimidoyl]guanidine;1,1-dimethyl-2-[N'-(thiophen-3-ylmethyl)carbamimidoyl]guanidine;1-(N'-methylcarbamimidoyl)-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(thiophen-3-ylmethyl)guanidine
PubChem CID159704156
Molecular FormulaC137H238N84O3S3
Molecular Weight3206.20 g/mol
Exact Mass3204.02
IUPAC Name1-carbamimidoyl-1,3-dimethyl-3-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-carbamimidoyl-1,3-dimethyl-3-(thiophen-3-ylmethyl)guanidine;1-carbamimidoyl-1-methyl-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[(5-methylfuran-2-yl)methyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1,1-dimethyl-2-[N'-[(5-methyl-1H-pyrrol-2-yl)methyl]carbamimidoyl]guanidine;1,1-dimethyl-2-[N'-(thiophen-3-ylmethyl)carbamimidoyl]guanidine;1-(N'-methylcarbamimidoyl)-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(thiophen-3-ylmethyl)guanidine
SMILESC/N=C(/N=C(N)N)N(C)Cc1ccc(C)[nH]1.C/N=C(/N=C(N)N)NCc1ccc(C)[nH]1.C/N=C(/N=C(N)N)NCc1ccc(C)o1.C/N=C(\N)N/C(N)=N/Cc1ccc(C)[nH]1.C/N=C(\N)N=C(N)N(C)Cc1ccc(C)[nH]1.C/N=C(\N)N=C(N)N(C)Cc1ccsc1.CN(C)C(N)=N/C(N)=N/Cc1ccsc1.Cc1ccc(C/N=C(\N)N=C(N)N(C)C)[nH]1.Cc1ccc(C/N=C(\N)N=C(N)N)[nH]1.Cc1ccc(C/N=C(\N)N=C(N)N)o1.[H]/N=C(/N(C)Cc1ccc(C)[nH]1)N(C)/C(N)=N/[H].[H]/N=C(/N(C)Cc1ccsc1)N(C)/C(N)=N/[H].[H]/N=C(/N=C(N)N)N(C)Cc1ccc(C)o1.[H]/N=C(\N)N(C)/C(N)=N/Cc1ccc(C)[nH]1.[H]/N=C(\N=C(N)N)N(C)Cc1ccc(C)[nH]1
InChIInChI=1S/4C10H18N6.4C9H16N6.2C9H15N5O.3C9H15N5S.C8H14N6.C8H13N5O/c1-7-4-5-8(14-7)6-13-9(11)15-10(12)16(2)3;1-7-4-5-8(14-7)6-16(3)10(12)15-9(11)13-2;1-7-4-5-8(14-7)6-15(2)10(13)16(3)9(11)12;1-7-4-5-8(14-7)6-16(3)10(13-2)15-9(11)12;1-6-3-4-7(14-6)5-13-9(11)15-8(10)12-2;1-6-3-4-7(13-6)5-15(2)9(12)14-8(10)11;1-6-3-4-7(14-6)5-13-9(12)15(2)8(10)11;1-6-3-4-7(14-6)5-13-9(12-2)15-8(10)11;1-6-3-4-7(15-6)5-14(2)9(12)13-8(10)11;1-6-3-4-7(15-6)5-13-9(12-2)14-8(10)11;1-14(2)9(11)13-8(10)12-5-7-3-4-15-6-7;1-12-8(10)13-9(11)14(2)5-7-3-4-15-6-7;1-13(5-7-3-4-15-6-7)9(12)14(2)8(10)11;1-5-2-3-6(13-5)4-12-8(11)14-7(9)10;1-5-2-3-6(14-5)4-12-8(11)13-7(9)10/h2*4-5,14H,6H2,1-3H3,(H4,11,12,13,15);4-5,13-14H,6H2,1-3H3,(H3,11,12);4-5,14H,6H2,1-3H3,(H4,11,12,13,15);3-4,14H,5H2,1-2H3,(H5,10,11,12,13,15);3-4,13H,5H2,1-2H3,(H5,10,11,12,14);3-4,14H,5H2,1-2H3,(H3,10,11)(H2,12,13);3-4,14H,5H2,1-2H3,(H5,10,11,12,13,15);3-4H,5H2,1-2H3,(H5,10,11,12,13);3-4H,5H2,1-2H3,(H5,10,11,12,13,14);2*3-4,6H,5H2,1-2H3,(H4,10,11,12,13);3-4,6,12H,5H2,1-2H3,(H3,10,11);2-3,13H,4H2,1H3,(H6,9,10,11,12,14);2-3H,4H2,1H3,(H6,9,10,11,12,13)/b;;13-10-;;;;;;;;;;12-9-;;
InChIKeyMXZOPYXVDUWAJS-BNYVUNARSA-N
XLogP0.90
TPSA1488.33 Ų
H-Bond Donors49
H-Bond Acceptors25
Rotatable Bonds30
Heavy Atoms227
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003206.20
LogP ≤ 50.90
H-Bond Donors ≤ 549
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 1-carbamimidoyl-1,3-dimethyl-3-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-carbamimidoyl-1,3-dimethyl-3-(thiophen-3-ylmethyl)guanidine;1-carbamimidoyl-1-methyl-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[(5-methylfuran-2-yl)methyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1,1-dimethyl-2-[N'-[(5-methyl-1H-pyrrol-2-yl)methyl]carbamimidoyl]guanidine;1,1-dimethyl-2-[N'-(thiophen-3-ylmethyl)carbamimidoyl]guanidine;1-(N'-methylcarbamimidoyl)-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(thiophen-3-ylmethyl)guanidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-1,3-dimethyl-3-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-carbamimidoyl-1,3-dimethyl-3-(thiophen-3-ylmethyl)guanidine;1-carbamimidoyl-1-methyl-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[(5-methylfuran-2-yl)methyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1,1-dimethyl-2-[N'-[(5-methyl-1H-pyrrol-2-yl)methyl]carbamimidoyl]guanidine;1,1-dimethyl-2-[N'-(thiophen-3-ylmethyl)carbamimidoyl]guanidine;1-(N'-methylcarbamimidoyl)-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(thiophen-3-ylmethyl)guanidine?
The IUPAC name of 1-carbamimidoyl-1,3-dimethyl-3-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-carbamimidoyl-1,3-dimethyl-3-(thiophen-3-ylmethyl)guanidine;1-carbamimidoyl-1-methyl-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[(5-methylfuran-2-yl)methyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1,1-dimethyl-2-[N'-[(5-methyl-1H-pyrrol-2-yl)methyl]carbamimidoyl]guanidine;1,1-dimethyl-2-[N'-(thiophen-3-ylmethyl)carbamimidoyl]guanidine;1-(N'-methylcarbamimidoyl)-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(thiophen-3-ylmethyl)guanidine (CID 159704156) is 1-carbamimidoyl-1,3-dimethyl-3-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-carbamimidoyl-1,3-dimethyl-3-(thiophen-3-ylmethyl)guanidine;1-carbamimidoyl-1-methyl-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[(5-methylfuran-2-yl)methyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1,1-dimethyl-2-[N'-[(5-methyl-1H-pyrrol-2-yl)methyl]carbamimidoyl]guanidine;1,1-dimethyl-2-[N'-(thiophen-3-ylmethyl)carbamimidoyl]guanidine;1-(N'-methylcarbamimidoyl)-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(thiophen-3-ylmethyl)guanidine.
What is the SMILES notation for 1-carbamimidoyl-1,3-dimethyl-3-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-carbamimidoyl-1,3-dimethyl-3-(thiophen-3-ylmethyl)guanidine;1-carbamimidoyl-1-methyl-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[(5-methylfuran-2-yl)methyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1,1-dimethyl-2-[N'-[(5-methyl-1H-pyrrol-2-yl)methyl]carbamimidoyl]guanidine;1,1-dimethyl-2-[N'-(thiophen-3-ylmethyl)carbamimidoyl]guanidine;1-(N'-methylcarbamimidoyl)-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(thiophen-3-ylmethyl)guanidine?
The canonical SMILES for 1-carbamimidoyl-1,3-dimethyl-3-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-carbamimidoyl-1,3-dimethyl-3-(thiophen-3-ylmethyl)guanidine;1-carbamimidoyl-1-methyl-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[(5-methylfuran-2-yl)methyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1,1-dimethyl-2-[N'-[(5-methyl-1H-pyrrol-2-yl)methyl]carbamimidoyl]guanidine;1,1-dimethyl-2-[N'-(thiophen-3-ylmethyl)carbamimidoyl]guanidine;1-(N'-methylcarbamimidoyl)-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(thiophen-3-ylmethyl)guanidine is C/N=C(/N=C(N)N)N(C)Cc1ccc(C)[nH]1.C/N=C(/N=C(N)N)NCc1ccc(C)[nH]1.C/N=C(/N=C(N)N)NCc1ccc(C)o1.C/N=C(\N)N/C(N)=N/Cc1ccc(C)[nH]1.C/N=C(\N)N=C(N)N(C)Cc1ccc(C)[nH]1.C/N=C(\N)N=C(N)N(C)Cc1ccsc1.CN(C)C(N)=N/C(N)=N/Cc1ccsc1.Cc1ccc(C/N=C(\N)N=C(N)N(C)C)[nH]1.Cc1ccc(C/N=C(\N)N=C(N)N)[nH]1.Cc1ccc(C/N=C(\N)N=C(N)N)o1.[H]/N=C(/N(C)Cc1ccc(C)[nH]1)N(C)/C(N)=N/[H].[H]/N=C(/N(C)Cc1ccsc1)N(C)/C(N)=N/[H].[H]/N=C(/N=C(N)N)N(C)Cc1ccc(C)o1.[H]/N=C(\N)N(C)/C(N)=N/Cc1ccc(C)[nH]1.[H]/N=C(\N=C(N)N)N(C)Cc1ccc(C)[nH]1.
What is the InChIKey of 1-carbamimidoyl-1,3-dimethyl-3-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-carbamimidoyl-1,3-dimethyl-3-(thiophen-3-ylmethyl)guanidine;1-carbamimidoyl-1-methyl-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[(5-methylfuran-2-yl)methyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1,1-dimethyl-2-[N'-[(5-methyl-1H-pyrrol-2-yl)methyl]carbamimidoyl]guanidine;1,1-dimethyl-2-[N'-(thiophen-3-ylmethyl)carbamimidoyl]guanidine;1-(N'-methylcarbamimidoyl)-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(thiophen-3-ylmethyl)guanidine?
The InChIKey is MXZOPYXVDUWAJS-BNYVUNARSA-N. The full InChI is InChI=1S/4C10H18N6.4C9H16N6.2C9H15N5O.3C9H15N5S.C8H14N6.C8H13N5O/c1-7-4-5-8(14-7)6-13-9(11)15-10(12)16(2)3;1-7-4-5-8(14-7)6-16(3)10(12)15-9(11)13-2;1-7-4-5-8(14-7)6-15(2)10(13)16(3)9(11)12;1-7-4-5-8(14-7)6-16(3)10(13-2)15-9(11)12;1-6-3-4-7(14-6)5-13-9(11)15-8(10)12-2;1-6-3-4-7(13-6)5-15(2)9(12)14-8(10)11;1-6-3-4-7(14-6)5-13-9(12)15(2)8(10)11;1-6-3-4-7(14-6)5-13-9(12-2)15-8(10)11;1-6-3-4-7(15-6)5-14(2)9(12)13-8(10)11;1-6-3-4-7(15-6)5-13-9(12-2)14-8(10)11;1-14(2)9(11)13-8(10)12-5-7-3-4-15-6-7;1-12-8(10)13-9(11)14(2)5-7-3-4-15-6-7;1-13(5-7-3-4-15-6-7)9(12)14(2)8(10)11;1-5-2-3-6(13-5)4-12-8(11)14-7(9)10;1-5-2-3-6(14-5)4-12-8(11)13-7(9)10/h2*4-5,14H,6H2,1-3H3,(H4,11,12,13,15);4-5,13-14H,6H2,1-3H3,(H3,11,12);4-5,14H,6H2,1-3H3,(H4,11,12,13,15);3-4,14H,5H2,1-2H3,(H5,10,11,12,13,15);3-4,13H,5H2,1-2H3,(H5,10,11,12,14);3-4,14H,5H2,1-2H3,(H3,10,11)(H2,12,13);3-4,14H,5H2,1-2H3,(H5,10,11,12,13,15);3-4H,5H2,1-2H3,(H5,10,11,12,13);3-4H,5H2,1-2H3,(H5,10,11,12,13,14);2*3-4,6H,5H2,1-2H3,(H4,10,11,12,13);3-4,6,12H,5H2,1-2H3,(H3,10,11);2-3,13H,4H2,1H3,(H6,9,10,11,12,14);2-3H,4H2,1H3,(H6,9,10,11,12,13)/b;;13-10-;;;;;;;;;;12-9-;;.
What are the key properties of 1-carbamimidoyl-1,3-dimethyl-3-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-carbamimidoyl-1,3-dimethyl-3-(thiophen-3-ylmethyl)guanidine;1-carbamimidoyl-1-methyl-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[(5-methylfuran-2-yl)methyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1,1-dimethyl-2-[N'-[(5-methyl-1H-pyrrol-2-yl)methyl]carbamimidoyl]guanidine;1,1-dimethyl-2-[N'-(thiophen-3-ylmethyl)carbamimidoyl]guanidine;1-(N'-methylcarbamimidoyl)-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(thiophen-3-ylmethyl)guanidine?
1-carbamimidoyl-1,3-dimethyl-3-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-carbamimidoyl-1,3-dimethyl-3-(thiophen-3-ylmethyl)guanidine;1-carbamimidoyl-1-methyl-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[(5-methylfuran-2-yl)methyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1,1-dimethyl-2-[N'-[(5-methyl-1H-pyrrol-2-yl)methyl]carbamimidoyl]guanidine;1,1-dimethyl-2-[N'-(thiophen-3-ylmethyl)carbamimidoyl]guanidine;1-(N'-methylcarbamimidoyl)-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(thiophen-3-ylmethyl)guanidine has a molecular weight of 3206.20 g/mol, XLogP of 0.90, 30 rotatable bonds, 49 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-1,3-dimethyl-3-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-carbamimidoyl-1,3-dimethyl-3-(thiophen-3-ylmethyl)guanidine;1-carbamimidoyl-1-methyl-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[(5-methylfuran-2-yl)methyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1,1-dimethyl-2-[N'-[(5-methyl-1H-pyrrol-2-yl)methyl]carbamimidoyl]guanidine;1,1-dimethyl-2-[N'-(thiophen-3-ylmethyl)carbamimidoyl]guanidine;1-(N'-methylcarbamimidoyl)-2-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-[(5-methyl-1H-pyrrol-2-yl)methyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(thiophen-3-ylmethyl)guanidine is sourced from PubChem (CID 159704156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).