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

C60H108N36 — CID 159474120

IUPAC1-carbamimidoyl-1-methyl-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(diaminomethylidene)-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(N'-methylcarbamimidoyl)-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine
SMILESC/N=C(/N=C(N)N)N(C)CCc1ccc(C)[nH]1.C/N=C(/N=C(N)N)NCCc1ccc(C)[nH]1.C/N=C(\N)N/C(N)=N/CCc1ccc(C)[nH]1.Cc1ccc(CC/N=C(\N)N=C(N)N)[nH]1.[H]/N=C(\N)N(C)/C(N)=N/CCc1ccc(C)[nH]1.[H]/N=C(\N=C(N)N)N(C)CCc1ccc(C)[nH]1
InChIInChI=1S/C11H20N6.4C10H18N6.C9H16N6/c1-8-4-5-9(15-8)6-7-17(3)11(14-2)16-10(12)13;1-7-3-4-8(15-7)5-6-14-10(12)16-9(11)13-2;1-7-3-4-8(14-7)5-6-16(2)10(13)15-9(11)12;1-7-3-4-8(15-7)5-6-14-10(13)16(2)9(11)12;1-7-3-4-8(15-7)5-6-14-10(13-2)16-9(11)12;1-6-2-3-7(14-6)4-5-13-9(12)15-8(10)11/h4-5,15H,6-7H2,1-3H3,(H4,12,13,14,16);3-4,15H,5-6H2,1-2H3,(H5,11,12,13,14,16);3-4,14H,5-6H2,1-2H3,(H5,11,12,13,15);3-4,15H,5-6H2,1-2H3,(H3,11,12)(H2,13,14);3-4,15H,5-6H2,1-2H3,(H5,11,12,13,14,16);2-3,14H,4-5H2,1H3,(H6,10,11,12,13,15)
InChIKeyLWDYGGNMGVWCBA-UHFFFAOYSA-N
MW1333.78 g/mol
LogP-1.05
Rot. Bonds18

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

1-carbamimidoyl-1-methyl-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(diaminomethylidene)-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(N'-methylcarbamimidoyl)-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine (PubChem CID 159474120) has the molecular formula C60H108N36 and a molecular weight of 1333.78 g/mol. Its IUPAC name is 1-carbamimidoyl-1-methyl-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(diaminomethylidene)-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(N'-methylcarbamimidoyl)-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-carbamimidoyl-1-methyl-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(diaminomethylidene)-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(N'-methylcarbamimidoyl)-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine
PubChem CID159474120
Molecular FormulaC60H108N36
Molecular Weight1333.78 g/mol
Exact Mass1332.96
IUPAC Name1-carbamimidoyl-1-methyl-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(diaminomethylidene)-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(N'-methylcarbamimidoyl)-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine
SMILESC/N=C(/N=C(N)N)N(C)CCc1ccc(C)[nH]1.C/N=C(/N=C(N)N)NCCc1ccc(C)[nH]1.C/N=C(\N)N/C(N)=N/CCc1ccc(C)[nH]1.Cc1ccc(CC/N=C(\N)N=C(N)N)[nH]1.[H]/N=C(\N)N(C)/C(N)=N/CCc1ccc(C)[nH]1.[H]/N=C(\N=C(N)N)N(C)CCc1ccc(C)[nH]1
InChIInChI=1S/C11H20N6.4C10H18N6.C9H16N6/c1-8-4-5-9(15-8)6-7-17(3)11(14-2)16-10(12)13;1-7-3-4-8(15-7)5-6-14-10(12)16-9(11)13-2;1-7-3-4-8(14-7)5-6-16(2)10(13)15-9(11)12;1-7-3-4-8(15-7)5-6-14-10(13)16(2)9(11)12;1-7-3-4-8(15-7)5-6-14-10(13-2)16-9(11)12;1-6-2-3-7(14-6)4-5-13-9(12)15-8(10)11/h4-5,15H,6-7H2,1-3H3,(H4,12,13,14,16);3-4,15H,5-6H2,1-2H3,(H5,11,12,13,14,16);3-4,14H,5-6H2,1-2H3,(H5,11,12,13,15);3-4,15H,5-6H2,1-2H3,(H3,11,12)(H2,13,14);3-4,15H,5-6H2,1-2H3,(H5,11,12,13,14,16);2-3,14H,4-5H2,1H3,(H6,10,11,12,13,15)
InChIKeyLWDYGGNMGVWCBA-UHFFFAOYSA-N
XLogP-1.05
TPSA638.08 Ų
H-Bond Donors23
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001333.78
LogP ≤ 5-1.05
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

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Related Compounds

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
1-carbamimidoyl-1,3-dimethyl-3-[2-(1H-pyrrol-2-yl)ethyl]guanidine;1-carbamimidoyl-2-[2-(furan-2-yl)ethyl]-1-methylguanidine;1-carbamimidoyl-1-methyl-2-[2-(1H-pyrrol-2-yl)ethyl]guanidine;1-(diaminomethylidene)-2-[2-(furan-2-yl)ethyl]guanidine;1-(diaminomethylidene)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;3-(diaminomethylidene)-1-[2-(furan-2-yl)ethyl]-1-methylguanidine;1-(diaminomethylidene)-2-methyl-3-[2-(1H-pyrrol-2-yl)ethyl]guanidine;bis(3-(diaminomethylidene)-1-methyl-1-[2-(1H-pyrrol-2-yl)ethyl]guanidine);1-(diaminomethylidene)-2-[2-(1H-pyrrol-2-yl)ethyl]guanidine;1,1-dimethyl-2-[N'-[(4-methylthiophen-3-yl)methyl]carbamimidoyl]guanidine;1,1-dimethyl-2-[N'-[2-(1H-pyrrol-2-yl)ethyl]carbamimidoyl]guanidine;1-[N'-[2-(furan-2-yl)ethyl]carbamimidoyl]-2-methylguanidine;1-(N'-methylcarbamimidoyl)-2-[2-(1H-pyrrol-2-yl)ethyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-[2-(1H-pyrrol-2-yl)ethyl]guanidine
CID 165024752
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
1-carbamimidoyl-1,3-dimethyl-3-[(5-methylfuran-2-yl)methyl]guanidine;1-carbamimidoyl-1-methyl-2-[(5-methylfuran-2-yl)methyl]guanidine;1-carbamimidoyl-1-methyl-2-[(5-methylthiophen-2-yl)methyl]guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-[(5-methylthiophen-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[(5-methylfuran-2-yl)methyl]guanidine;bis(3-(diaminomethylidene)-1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine);1-(diaminomethylidene)-2-methyl-3-[(5-methylthiophen-2-yl)methyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[(5-methylthiophen-2-yl)methyl]guanidine;1-(diaminomethylidene)-2-[(5-methylthiophen-2-yl)methyl]guanidine;1,1-dimethyl-2-[N'-[(5-methylfuran-2-yl)methyl]carbamimidoyl]guanidine;1-(N'-methylcarbamimidoyl)-2-[(5-methylfuran-2-yl)methyl]guanidine;1-(N'-methylcarbamimidoyl)-2-[(5-methylthiophen-2-yl)methyl]guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-[(5-methylfuran-2-yl)methyl]guanidine
CID 158922601
1-carbamimidoyl-1,3-dimethyl-3-(thiophen-2-ylmethyl)guanidine;1-carbamimidoyl-1-methyl-2-(thiophen-2-ylmethyl)guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(thiophen-2-ylmethyl)guanidine;1-(diaminomethylidene)-2-methyl-3-(thiophen-2-ylmethyl)guanidine;3-(diaminomethylidene)-1-methyl-1-(thiophen-2-ylmethyl)guanidine;1-(diaminomethylidene)-2-(thiophen-2-ylmethyl)guanidine;2-[N'-(furan-2-ylmethyl)carbamimidoyl]-1,1-dimethylguanidine;1-(N'-methylcarbamimidoyl)-2-(thiophen-2-ylmethyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(thiophen-2-ylmethyl)guanidine
CID 160992279
1-carbamimidoyl-3-(2,3-dihydroxyphenyl)-1,3-dimethylguanidine;1-carbamimidoyl-3-[(2,3-dihydroxyphenyl)methyl]-1,3-dimethylguanidine;1-carbamimidoyl-2-[(2,3-dihydroxyphenyl)methyl]-1-methylguanidine;3-(diaminomethylidene)-1-[(2,3-dihydroxyphenyl)methyl]-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[(2,3-dihydroxyphenyl)methyl]guanidine;1-(diaminomethylidene)-3-[(2,3-dihydroxyphenyl)methyl]-2-methylguanidine;3-(diaminomethylidene)-1-[(2,3-dihydroxyphenyl)methyl]-1-methylguanidine;2-[N'-(2,3-dihydroxyphenyl)carbamimidoyl]-1,1-dimethylguanidine;1-[N'-[(2,3-dihydroxyphenyl)methyl]carbamimidoyl]-2-methylguanidine;1-(2,3-dihydroxyphenyl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;1-[(2,3-dihydroxyphenyl)methyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine
CID 161313523
1-[amino-(3,4-dihydroxyanilino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(3,4-dihydroxyphenyl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(3,4-dihydroxyphenyl)-1-methylguanidine;1-carbamimidoyl-2-[(3,4-dihydroxyphenyl)methyl]-1-methylguanidine;3-(diaminomethylidene)-1-(3,4-dihydroxyphenyl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[(3,4-dihydroxyphenyl)methyl]guanidine;1-(diaminomethylidene)-3-[(3,4-dihydroxyphenyl)methyl]-2-methylguanidine;3-(diaminomethylidene)-1-[(3,4-dihydroxyphenyl)methyl]-1-methylguanidine;2-[N'-(3,4-dihydroxyphenyl)carbamimidoyl]-1,1-dimethylguanidine;1-(3,4-dihydroxyphenyl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine
CID 157060559
1-[amino-(4-chloroanilino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(4-chlorophenyl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(4-chlorophenyl)-1-methylguanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-1,2-dimethylguanidine;2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-1-methylguanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-2-methylguanidine;1-(4-chlorophenyl)-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;2-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-1,1-dimethylguanidine
CID 158922540
1-carbamimidoyl-2-cyclohexyl-1-methylguanidine;1-carbamimidoyl-2-(cyclohexylmethyl)-1-methylguanidine;1-carbamimidoyl-2-(cyclopentylmethyl)-1-methylguanidine;1-carbamimidoyl-3-(cyclopentylmethyl)-2-methylguanidine;2-(N'-cyclohexylcarbamimidoyl)-1,1-dimethylguanidine;1-(N'-cyclohexylcarbamimidoyl)-2-methylguanidine;2-cyclohexyl-1-(diaminomethylidene)guanidine;2-cyclohexyl-1-(diaminomethylidene)-3-methylguanidine;2-(cyclohexylmethyl)-1-(diaminomethylidene)guanidine;2-[N'-(cyclopentylmethyl)carbamimidoyl]-1,1-dimethylguanidine;1-[N'-(cyclopentylmethyl)carbamimidoyl]-2-methylguanidine
CID 176534515
3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]-1-methylguanidine
CID 79006437
3-(diaminomethylidene)-1-methyl-1-tridecylguanidine;hydrochloride
CID 86657167
2-(N,N-dimethylcarbamimidoyl)-1-[2-(4-fluorophenyl)ethyl]-1-methylguanidine;hydrochloride
CID 159346485

Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-1-methyl-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(diaminomethylidene)-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(N'-methylcarbamimidoyl)-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine?
The IUPAC name of 1-carbamimidoyl-1-methyl-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(diaminomethylidene)-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(N'-methylcarbamimidoyl)-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine (CID 159474120) is 1-carbamimidoyl-1-methyl-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(diaminomethylidene)-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(N'-methylcarbamimidoyl)-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine.
What is the SMILES notation for 1-carbamimidoyl-1-methyl-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(diaminomethylidene)-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(N'-methylcarbamimidoyl)-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine?
The canonical SMILES for 1-carbamimidoyl-1-methyl-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(diaminomethylidene)-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(N'-methylcarbamimidoyl)-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine is C/N=C(/N=C(N)N)N(C)CCc1ccc(C)[nH]1.C/N=C(/N=C(N)N)NCCc1ccc(C)[nH]1.C/N=C(\N)N/C(N)=N/CCc1ccc(C)[nH]1.Cc1ccc(CC/N=C(\N)N=C(N)N)[nH]1.[H]/N=C(\N)N(C)/C(N)=N/CCc1ccc(C)[nH]1.[H]/N=C(\N=C(N)N)N(C)CCc1ccc(C)[nH]1.
What is the InChIKey of 1-carbamimidoyl-1-methyl-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(diaminomethylidene)-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(N'-methylcarbamimidoyl)-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine?
The InChIKey is LWDYGGNMGVWCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6.4C10H18N6.C9H16N6/c1-8-4-5-9(15-8)6-7-17(3)11(14-2)16-10(12)13;1-7-3-4-8(15-7)5-6-14-10(12)16-9(11)13-2;1-7-3-4-8(14-7)5-6-16(2)10(13)15-9(11)12;1-7-3-4-8(15-7)5-6-14-10(13)16(2)9(11)12;1-7-3-4-8(15-7)5-6-14-10(13-2)16-9(11)12;1-6-2-3-7(14-6)4-5-13-9(12)15-8(10)11/h4-5,15H,6-7H2,1-3H3,(H4,12,13,14,16);3-4,15H,5-6H2,1-2H3,(H5,11,12,13,14,16);3-4,14H,5-6H2,1-2H3,(H5,11,12,13,15);3-4,15H,5-6H2,1-2H3,(H3,11,12)(H2,13,14);3-4,15H,5-6H2,1-2H3,(H5,11,12,13,14,16);2-3,14H,4-5H2,1H3,(H6,10,11,12,13,15).
What are the key properties of 1-carbamimidoyl-1-methyl-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(diaminomethylidene)-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(N'-methylcarbamimidoyl)-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine?
1-carbamimidoyl-1-methyl-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(diaminomethylidene)-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(N'-methylcarbamimidoyl)-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine has a molecular weight of 1333.78 g/mol, XLogP of -1.05, 18 rotatable bonds, 23 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-1-methyl-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(diaminomethylidene)-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(N'-methylcarbamimidoyl)-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine is sourced from PubChem (CID 159474120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).