1-carbamimidoyl-2-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1-carbamimidoyl-2-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1-carbamimidoyl-2-[2-(5-methylcyclopenten-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1,1-dimethyl-3-[N'-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine;1,1-dimethyl-3-[N'-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine;1,1-dimethyl-3-[N'-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine

C99H173N45 — CID 176533248

About 1-carbamimidoyl-2-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1-carbamimidoyl-2-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1-carbamimidoyl-2-[2-(5-methylcyclopenten-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1,1-dimethyl-3-[N'-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine;1,1-dimethyl-3-[N'-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine;1,1-dimethyl-3-[N'-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine

1-carbamimidoyl-2-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1-carbamimidoyl-2-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1-carbamimidoyl-2-[2-(5-methylcyclopenten-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1,1-dimethyl-3-[N'-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine;1,1-dimethyl-3-[N'-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine;1,1-dimethyl-3-[N'-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine (PubChem CID 176533248) has the molecular formula C99H173N45 and a molecular weight of 1993.79 g/mol. Its IUPAC name is 1-carbamimidoyl-2-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1-carbamimidoyl-2-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1-carbamimidoyl-2-[2-(5-methylcyclopenten-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1,1-dimethyl-3-[N'-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine;1,1-dimethyl-3-[N'-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine;1,1-dimethyl-3-[N'-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine.

Molecular Properties

• Compound Name: 1-carbamimidoyl-2-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1-carbamimidoyl-2-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1-carbamimidoyl-2-[2-(5-methylcyclopenten-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1,1-dimethyl-3-[N'-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine;1,1-dimethyl-3-[N'-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine;1,1-dimethyl-3-[N'-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine
• PubChem CID: 176533248
• Molecular Formula: C99H173N45
• Molecular Weight: 1993.79 g/mol
• Exact Mass: 1992.49
• IUPAC Name: 1-carbamimidoyl-2-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1-carbamimidoyl-2-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1-carbamimidoyl-2-[2-(5-methylcyclopenten-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1,1-dimethyl-3-[N'-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine;1,1-dimethyl-3-[N'-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine;1,1-dimethyl-3-[N'-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine
• SMILES: [H]/N=C(/N/C(N)=N/CCC1=C(C)CC=C1)N(C)C.[H]/N=C(/N/C(N)=N/CCC1=CCC(C)=C1)N(C)C.[H]/N=C(/N/C(N)=N/CCC1=CCC=C1C)N(C)C.[H]/N=C(\N)N/C(N)=N/CCC1=C(C)CC=C1.[H]/N=C(\N)N/C(N)=N/CCC1=CCC(C)=C1.[H]/N=C(\N)N/C(N)=N/CCC1=CCCC1C.[H]/N=C(\N)N=C(N)N(C)CCC1=C(C)CC=C1.[H]/N=C(\N)N=C(N)N(C)CCC1=CCC(C)=C1.[H]/N=C(\N)N=C(N)N(C)CCC1=CCC=C1C
• InChI: InChI=1S/3C12H21N5.3C11H19N5.C10H17N5.C10H19N5.C10H17N5/c1-9-4-5-10(8-9)6-7-15-11(13)16-12(14)17(2)3;2*1-9-5-4-6-10(9)7-8-15-11(13)16-12(14)17(2)3;1-8-3-4-9(7-8)5-6-16(2)11(14)15-10(12)13;2*1-8-4-3-5-9(8)6-7-16(2)11(14)15-10(12)13;1-7-2-3-8(6-7)4-5-14-10(13)15-9(11)12;2*1-7-3-2-4-8(7)5-6-14-10(13)15-9(11)12/h5,8H,4,6-7H2,1-3H3,(H4,13,14,15,16);5-6H,4,7-8H2,1-3H3,(H4,13,14,15,16);4,6H,5,7-8H2,1-3H3,(H4,13,14,15,16);4,7H,3,5-6H2,1-2H3,(H5,12,13,14,15);4-5H,3,6-7H2,1-2H3,(H5,12,13,14,15);3,5H,4,6-7H2,1-2H3,(H5,12,13,14,15);3,6H,2,4-5H2,1H3,(H6,11,12,13,14,15);4,7H,2-3,5-6H2,1H3,(H6,11,12,13,14,15);2,4H,3,5-6H2,1H3,(H6,11,12,13,14,15)
• InChIKey: ZVHCJFPLYYLGTN-UHFFFAOYSA-N
• XLogP: 6.97
• TPSA: 807.81 Ų
• H-Bond Donors: 30
• H-Bond Acceptors: 15
• Rotatable Bonds: 27
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1993.79
LogP ≤ 5	6.97
H-Bond Donors ≤ 5	30
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-2-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1-carbamimidoyl-2-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1-carbamimidoyl-2-[2-(5-methylcyclopenten-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1,1-dimethyl-3-[N'-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine;1,1-dimethyl-3-[N'-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine;1,1-dimethyl-3-[N'-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine?

The IUPAC name of 1-carbamimidoyl-2-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1-carbamimidoyl-2-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1-carbamimidoyl-2-[2-(5-methylcyclopenten-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1,1-dimethyl-3-[N'-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine;1,1-dimethyl-3-[N'-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine;1,1-dimethyl-3-[N'-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine (CID 176533248) is 1-carbamimidoyl-2-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1-carbamimidoyl-2-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1-carbamimidoyl-2-[2-(5-methylcyclopenten-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1,1-dimethyl-3-[N'-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine;1,1-dimethyl-3-[N'-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine;1,1-dimethyl-3-[N'-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine.

What is the SMILES notation for 1-carbamimidoyl-2-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1-carbamimidoyl-2-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1-carbamimidoyl-2-[2-(5-methylcyclopenten-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1,1-dimethyl-3-[N'-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine;1,1-dimethyl-3-[N'-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine;1,1-dimethyl-3-[N'-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine?

The canonical SMILES for 1-carbamimidoyl-2-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1-carbamimidoyl-2-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1-carbamimidoyl-2-[2-(5-methylcyclopenten-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1,1-dimethyl-3-[N'-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine;1,1-dimethyl-3-[N'-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine;1,1-dimethyl-3-[N'-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine is [H]/N=C(/N/C(N)=N/CCC1=C(C)CC=C1)N(C)C.[H]/N=C(/N/C(N)=N/CCC1=CCC(C)=C1)N(C)C.[H]/N=C(/N/C(N)=N/CCC1=CCC=C1C)N(C)C.[H]/N=C(\N)N/C(N)=N/CCC1=C(C)CC=C1.[H]/N=C(\N)N/C(N)=N/CCC1=CCC(C)=C1.[H]/N=C(\N)N/C(N)=N/CCC1=CCCC1C.[H]/N=C(\N)N=C(N)N(C)CCC1=C(C)CC=C1.[H]/N=C(\N)N=C(N)N(C)CCC1=CCC(C)=C1.[H]/N=C(\N)N=C(N)N(C)CCC1=CCC=C1C.

What is the InChIKey of 1-carbamimidoyl-2-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1-carbamimidoyl-2-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1-carbamimidoyl-2-[2-(5-methylcyclopenten-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1,1-dimethyl-3-[N'-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine;1,1-dimethyl-3-[N'-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine;1,1-dimethyl-3-[N'-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine?

The InChIKey is ZVHCJFPLYYLGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H21N5.3C11H19N5.C10H17N5.C10H19N5.C10H17N5/c1-9-4-5-10(8-9)6-7-15-11(13)16-12(14)17(2)3;2*1-9-5-4-6-10(9)7-8-15-11(13)16-12(14)17(2)3;1-8-3-4-9(7-8)5-6-16(2)11(14)15-10(12)13;2*1-8-4-3-5-9(8)6-7-16(2)11(14)15-10(12)13;1-7-2-3-8(6-7)4-5-14-10(13)15-9(11)12;2*1-7-3-2-4-8(7)5-6-14-10(13)15-9(11)12/h5,8H,4,6-7H2,1-3H3,(H4,13,14,15,16);5-6H,4,7-8H2,1-3H3,(H4,13,14,15,16);4,6H,5,7-8H2,1-3H3,(H4,13,14,15,16);4,7H,3,5-6H2,1-2H3,(H5,12,13,14,15);4-5H,3,6-7H2,1-2H3,(H5,12,13,14,15);3,5H,4,6-7H2,1-2H3,(H5,12,13,14,15);3,6H,2,4-5H2,1H3,(H6,11,12,13,14,15);4,7H,2-3,5-6H2,1H3,(H6,11,12,13,14,15);2,4H,3,5-6H2,1H3,(H6,11,12,13,14,15).

What are the key properties of 1-carbamimidoyl-2-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1-carbamimidoyl-2-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1-carbamimidoyl-2-[2-(5-methylcyclopenten-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1,1-dimethyl-3-[N'-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine;1,1-dimethyl-3-[N'-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine;1,1-dimethyl-3-[N'-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine?

1-carbamimidoyl-2-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1-carbamimidoyl-2-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1-carbamimidoyl-2-[2-(5-methylcyclopenten-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1,1-dimethyl-3-[N'-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine;1,1-dimethyl-3-[N'-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine;1,1-dimethyl-3-[N'-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine has a molecular weight of 1993.79 g/mol, XLogP of 6.97, 27 rotatable bonds, 30 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-carbamimidoyl-2-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1-carbamimidoyl-2-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1-carbamimidoyl-2-[2-(5-methylcyclopenten-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;2-carbamimidoyl-1-methyl-1-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]guanidine;1,1-dimethyl-3-[N'-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine;1,1-dimethyl-3-[N'-[2-(4-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine;1,1-dimethyl-3-[N'-[2-(5-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine is sourced from PubChem (CID 176533248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).