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

C67H107N45O8 — CID 161260382

IUPAC1-[amino-(furan-3-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(furan-3-yl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(furan-3-yl)-1-methylguanidine;2-(N'-cyclopenta-1,4-dien-1-ylcarbamimidoyl)-1,1-dimethylguanidine;3-(diaminomethylidene)-1-(furan-3-yl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-(furan-3-yl)guanidine;1-(diaminomethylidene)-3-(furan-3-yl)-2-methylguanidine;3-(diaminomethylidene)-1-(furan-3-yl)-1-methylguanidine;1-(furan-3-yl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine
SMILESC/N=C(/N=C(N)N)N(C)c1ccoc1.C/N=C(/N=C(N)N)Nc1ccoc1.C/N=C(\N)N=C(N)N(C)c1ccoc1.C/N=C(\N)N=C(N)Nc1ccoc1.CN(C)C(N)=N/C(N)=N/C1=CCC=C1.NC(N)=N/C(N)=N/c1ccoc1.[H]/N=C(\N(C)/C(N)=N/[H])N(C)c1ccoc1.[H]/N=C(\N)N(C)/C(N)=N/c1ccoc1.[H]/N=C(\N=C(N)N)N(C)c1ccoc1
InChIInChI=1S/C9H15N5.3C8H13N5O.4C7H11N5O.C6H9N5O/c1-14(2)9(11)13-8(10)12-7-5-3-4-6-7;1-11-7(9)12-8(10)13(2)6-3-4-14-5-6;1-12(6-3-4-14-5-6)8(11)13(2)7(9)10;1-11-8(12-7(9)10)13(2)6-3-4-14-5-6;1-10-6(8)12-7(9)11-5-2-3-13-4-5;1-12(5-2-3-13-4-5)7(10)11-6(8)9;1-12(6(8)9)7(10)11-5-2-3-13-4-5;1-10-7(12-6(8)9)11-5-2-3-13-4-5;7-5(8)11-6(9)10-4-1-2-12-3-4/h3,5-6H,4H2,1-2H3,(H4,10,11,12,13);3-5H,1-2H3,(H4,9,10,11,12);3-5,11H,1-2H3,(H3,9,10);3-5H,1-2H3,(H4,9,10,11,12);2-4H,1H3,(H5,8,9,10,11,12);2-4H,1H3,(H5,8,9,10,11);2-4H,1H3,(H3,8,9)(H2,10,11);2-4H,1H3,(H5,8,9,10,11,12);1-3H,(H6,7,8,9,10,11)/b;;11-8-;;;;;;
InChIKeyVCLXGWWTAPIZOF-UPUURMEBSA-N
MW1670.90 g/mol
LogP-0.18
Rot. Bonds9

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

1-[amino-(furan-3-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(furan-3-yl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(furan-3-yl)-1-methylguanidine;2-(N'-cyclopenta-1,4-dien-1-ylcarbamimidoyl)-1,1-dimethylguanidine;3-(diaminomethylidene)-1-(furan-3-yl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-(furan-3-yl)guanidine;1-(diaminomethylidene)-3-(furan-3-yl)-2-methylguanidine;3-(diaminomethylidene)-1-(furan-3-yl)-1-methylguanidine;1-(furan-3-yl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine (PubChem CID 161260382) has the molecular formula C67H107N45O8 and a molecular weight of 1670.90 g/mol. Its IUPAC name is 1-[amino-(furan-3-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(furan-3-yl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(furan-3-yl)-1-methylguanidine;2-(N'-cyclopenta-1,4-dien-1-ylcarbamimidoyl)-1,1-dimethylguanidine;3-(diaminomethylidene)-1-(furan-3-yl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-(furan-3-yl)guanidine;1-(diaminomethylidene)-3-(furan-3-yl)-2-methylguanidine;3-(diaminomethylidene)-1-(furan-3-yl)-1-methylguanidine;1-(furan-3-yl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine.

Molecular Properties

Compound Name1-[amino-(furan-3-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(furan-3-yl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(furan-3-yl)-1-methylguanidine;2-(N'-cyclopenta-1,4-dien-1-ylcarbamimidoyl)-1,1-dimethylguanidine;3-(diaminomethylidene)-1-(furan-3-yl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-(furan-3-yl)guanidine;1-(diaminomethylidene)-3-(furan-3-yl)-2-methylguanidine;3-(diaminomethylidene)-1-(furan-3-yl)-1-methylguanidine;1-(furan-3-yl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine
PubChem CID161260382
Molecular FormulaC67H107N45O8
Molecular Weight1670.90 g/mol
Exact Mass1669.93
IUPAC Name1-[amino-(furan-3-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(furan-3-yl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(furan-3-yl)-1-methylguanidine;2-(N'-cyclopenta-1,4-dien-1-ylcarbamimidoyl)-1,1-dimethylguanidine;3-(diaminomethylidene)-1-(furan-3-yl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-(furan-3-yl)guanidine;1-(diaminomethylidene)-3-(furan-3-yl)-2-methylguanidine;3-(diaminomethylidene)-1-(furan-3-yl)-1-methylguanidine;1-(furan-3-yl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine
SMILESC/N=C(/N=C(N)N)N(C)c1ccoc1.C/N=C(/N=C(N)N)Nc1ccoc1.C/N=C(\N)N=C(N)N(C)c1ccoc1.C/N=C(\N)N=C(N)Nc1ccoc1.CN(C)C(N)=N/C(N)=N/C1=CCC=C1.NC(N)=N/C(N)=N/c1ccoc1.[H]/N=C(\N(C)/C(N)=N/[H])N(C)c1ccoc1.[H]/N=C(\N)N(C)/C(N)=N/c1ccoc1.[H]/N=C(\N=C(N)N)N(C)c1ccoc1
InChIInChI=1S/C9H15N5.3C8H13N5O.4C7H11N5O.C6H9N5O/c1-14(2)9(11)13-8(10)12-7-5-3-4-6-7;1-11-7(9)12-8(10)13(2)6-3-4-14-5-6;1-12(6-3-4-14-5-6)8(11)13(2)7(9)10;1-11-8(12-7(9)10)13(2)6-3-4-14-5-6;1-10-6(8)12-7(9)11-5-2-3-13-4-5;1-12(5-2-3-13-4-5)7(10)11-6(8)9;1-12(6(8)9)7(10)11-5-2-3-13-4-5;1-10-7(12-6(8)9)11-5-2-3-13-4-5;7-5(8)11-6(9)10-4-1-2-12-3-4/h3,5-6H,4H2,1-2H3,(H4,10,11,12,13);3-5H,1-2H3,(H4,9,10,11,12);3-5,11H,1-2H3,(H3,9,10);3-5H,1-2H3,(H4,9,10,11,12);2-4H,1H3,(H5,8,9,10,11,12);2-4H,1H3,(H5,8,9,10,11);2-4H,1H3,(H3,8,9)(H2,10,11);2-4H,1H3,(H5,8,9,10,11,12);1-3H,(H6,7,8,9,10,11)/b;;11-8-;;;;;;
InChIKeyVCLXGWWTAPIZOF-UPUURMEBSA-N
XLogP-0.18
TPSA888.66 Ų
H-Bond Donors24
H-Bond Acceptors19
Rotatable Bonds9
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001670.90
LogP ≤ 5-0.18
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 1-[amino-(furan-3-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(furan-3-yl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(furan-3-yl)-1-methylguanidine;2-(N'-cyclopenta-1,4-dien-1-ylcarbamimidoyl)-1,1-dimethylguanidine;3-(diaminomethylidene)-1-(furan-3-yl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-(furan-3-yl)guanidine;1-(diaminomethylidene)-3-(furan-3-yl)-2-methylguanidine;3-(diaminomethylidene)-1-(furan-3-yl)-1-methylguanidine;1-(furan-3-yl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine?
The IUPAC name of 1-[amino-(furan-3-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(furan-3-yl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(furan-3-yl)-1-methylguanidine;2-(N'-cyclopenta-1,4-dien-1-ylcarbamimidoyl)-1,1-dimethylguanidine;3-(diaminomethylidene)-1-(furan-3-yl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-(furan-3-yl)guanidine;1-(diaminomethylidene)-3-(furan-3-yl)-2-methylguanidine;3-(diaminomethylidene)-1-(furan-3-yl)-1-methylguanidine;1-(furan-3-yl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine (CID 161260382) is 1-[amino-(furan-3-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(furan-3-yl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(furan-3-yl)-1-methylguanidine;2-(N'-cyclopenta-1,4-dien-1-ylcarbamimidoyl)-1,1-dimethylguanidine;3-(diaminomethylidene)-1-(furan-3-yl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-(furan-3-yl)guanidine;1-(diaminomethylidene)-3-(furan-3-yl)-2-methylguanidine;3-(diaminomethylidene)-1-(furan-3-yl)-1-methylguanidine;1-(furan-3-yl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine.
What is the SMILES notation for 1-[amino-(furan-3-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(furan-3-yl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(furan-3-yl)-1-methylguanidine;2-(N'-cyclopenta-1,4-dien-1-ylcarbamimidoyl)-1,1-dimethylguanidine;3-(diaminomethylidene)-1-(furan-3-yl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-(furan-3-yl)guanidine;1-(diaminomethylidene)-3-(furan-3-yl)-2-methylguanidine;3-(diaminomethylidene)-1-(furan-3-yl)-1-methylguanidine;1-(furan-3-yl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine?
The canonical SMILES for 1-[amino-(furan-3-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(furan-3-yl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(furan-3-yl)-1-methylguanidine;2-(N'-cyclopenta-1,4-dien-1-ylcarbamimidoyl)-1,1-dimethylguanidine;3-(diaminomethylidene)-1-(furan-3-yl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-(furan-3-yl)guanidine;1-(diaminomethylidene)-3-(furan-3-yl)-2-methylguanidine;3-(diaminomethylidene)-1-(furan-3-yl)-1-methylguanidine;1-(furan-3-yl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine is C/N=C(/N=C(N)N)N(C)c1ccoc1.C/N=C(/N=C(N)N)Nc1ccoc1.C/N=C(\N)N=C(N)N(C)c1ccoc1.C/N=C(\N)N=C(N)Nc1ccoc1.CN(C)C(N)=N/C(N)=N/C1=CCC=C1.NC(N)=N/C(N)=N/c1ccoc1.[H]/N=C(\N(C)/C(N)=N/[H])N(C)c1ccoc1.[H]/N=C(\N)N(C)/C(N)=N/c1ccoc1.[H]/N=C(\N=C(N)N)N(C)c1ccoc1.
What is the InChIKey of 1-[amino-(furan-3-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(furan-3-yl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(furan-3-yl)-1-methylguanidine;2-(N'-cyclopenta-1,4-dien-1-ylcarbamimidoyl)-1,1-dimethylguanidine;3-(diaminomethylidene)-1-(furan-3-yl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-(furan-3-yl)guanidine;1-(diaminomethylidene)-3-(furan-3-yl)-2-methylguanidine;3-(diaminomethylidene)-1-(furan-3-yl)-1-methylguanidine;1-(furan-3-yl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine?
The InChIKey is VCLXGWWTAPIZOF-UPUURMEBSA-N. The full InChI is InChI=1S/C9H15N5.3C8H13N5O.4C7H11N5O.C6H9N5O/c1-14(2)9(11)13-8(10)12-7-5-3-4-6-7;1-11-7(9)12-8(10)13(2)6-3-4-14-5-6;1-12(6-3-4-14-5-6)8(11)13(2)7(9)10;1-11-8(12-7(9)10)13(2)6-3-4-14-5-6;1-10-6(8)12-7(9)11-5-2-3-13-4-5;1-12(5-2-3-13-4-5)7(10)11-6(8)9;1-12(6(8)9)7(10)11-5-2-3-13-4-5;1-10-7(12-6(8)9)11-5-2-3-13-4-5;7-5(8)11-6(9)10-4-1-2-12-3-4/h3,5-6H,4H2,1-2H3,(H4,10,11,12,13);3-5H,1-2H3,(H4,9,10,11,12);3-5,11H,1-2H3,(H3,9,10);3-5H,1-2H3,(H4,9,10,11,12);2-4H,1H3,(H5,8,9,10,11,12);2-4H,1H3,(H5,8,9,10,11);2-4H,1H3,(H3,8,9)(H2,10,11);2-4H,1H3,(H5,8,9,10,11,12);1-3H,(H6,7,8,9,10,11)/b;;11-8-;;;;;;.
What are the key properties of 1-[amino-(furan-3-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(furan-3-yl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(furan-3-yl)-1-methylguanidine;2-(N'-cyclopenta-1,4-dien-1-ylcarbamimidoyl)-1,1-dimethylguanidine;3-(diaminomethylidene)-1-(furan-3-yl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-(furan-3-yl)guanidine;1-(diaminomethylidene)-3-(furan-3-yl)-2-methylguanidine;3-(diaminomethylidene)-1-(furan-3-yl)-1-methylguanidine;1-(furan-3-yl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine?
1-[amino-(furan-3-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(furan-3-yl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(furan-3-yl)-1-methylguanidine;2-(N'-cyclopenta-1,4-dien-1-ylcarbamimidoyl)-1,1-dimethylguanidine;3-(diaminomethylidene)-1-(furan-3-yl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-(furan-3-yl)guanidine;1-(diaminomethylidene)-3-(furan-3-yl)-2-methylguanidine;3-(diaminomethylidene)-1-(furan-3-yl)-1-methylguanidine;1-(furan-3-yl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine has a molecular weight of 1670.90 g/mol, XLogP of -0.18, 9 rotatable bonds, 24 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(furan-3-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(furan-3-yl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(furan-3-yl)-1-methylguanidine;2-(N'-cyclopenta-1,4-dien-1-ylcarbamimidoyl)-1,1-dimethylguanidine;3-(diaminomethylidene)-1-(furan-3-yl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-(furan-3-yl)guanidine;1-(diaminomethylidene)-3-(furan-3-yl)-2-methylguanidine;3-(diaminomethylidene)-1-(furan-3-yl)-1-methylguanidine;1-(furan-3-yl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine is sourced from PubChem (CID 161260382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).