2-[1-(aminomethyl)cyclohexyl]-N-[3-(5,8-dihydronaphthalen-1-yloxy)-4-thiophen-2-ylbutyl]-N-methylacetamide;2-[1-(aminomethyl)cyclohexyl]-N-(3,5-dimethyl-1-adamantyl)acetamide;2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]acetamide;3-(aminomethyl)-N-[3-(5,8-dihydronaphthalen-1-yloxy)-4-thiophen-2-ylbutyl]-N,5-dimethylhexanamide;3-(aminomethyl)-N-(3,5-dimethyl-1-adamantyl)-5-methylhexanamide;3-(aminomethyl)-N,5-dimethyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]hexanamide

C147H220N12O10S2 — CID 159391644

About 2-[1-(aminomethyl)cyclohexyl]-N-[3-(5,8-dihydronaphthalen-1-yloxy)-4-thiophen-2-ylbutyl]-N-methylacetamide;2-[1-(aminomethyl)cyclohexyl]-N-(3,5-dimethyl-1-adamantyl)acetamide;2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]acetamide;3-(aminomethyl)-N-[3-(5,8-dihydronaphthalen-1-yloxy)-4-thiophen-2-ylbutyl]-N,5-dimethylhexanamide;3-(aminomethyl)-N-(3,5-dimethyl-1-adamantyl)-5-methylhexanamide;3-(aminomethyl)-N,5-dimethyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]hexanamide

2-[1-(aminomethyl)cyclohexyl]-N-[3-(5,8-dihydronaphthalen-1-yloxy)-4-thiophen-2-ylbutyl]-N-methylacetamide;2-[1-(aminomethyl)cyclohexyl]-N-(3,5-dimethyl-1-adamantyl)acetamide;2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]acetamide;3-(aminomethyl)-N-[3-(5,8-dihydronaphthalen-1-yloxy)-4-thiophen-2-ylbutyl]-N,5-dimethylhexanamide;3-(aminomethyl)-N-(3,5-dimethyl-1-adamantyl)-5-methylhexanamide;3-(aminomethyl)-N,5-dimethyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]hexanamide (PubChem CID 159391644) has the molecular formula C147H220N12O10S2 and a molecular weight of 2379.58 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-[3-(5,8-dihydronaphthalen-1-yloxy)-4-thiophen-2-ylbutyl]-N-methylacetamide;2-[1-(aminomethyl)cyclohexyl]-N-(3,5-dimethyl-1-adamantyl)acetamide;2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]acetamide;3-(aminomethyl)-N-[3-(5,8-dihydronaphthalen-1-yloxy)-4-thiophen-2-ylbutyl]-N,5-dimethylhexanamide;3-(aminomethyl)-N-(3,5-dimethyl-1-adamantyl)-5-methylhexanamide;3-(aminomethyl)-N,5-dimethyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]hexanamide.

Molecular Properties

• Compound Name: 2-[1-(aminomethyl)cyclohexyl]-N-[3-(5,8-dihydronaphthalen-1-yloxy)-4-thiophen-2-ylbutyl]-N-methylacetamide;2-[1-(aminomethyl)cyclohexyl]-N-(3,5-dimethyl-1-adamantyl)acetamide;2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]acetamide;3-(aminomethyl)-N-[3-(5,8-dihydronaphthalen-1-yloxy)-4-thiophen-2-ylbutyl]-N,5-dimethylhexanamide;3-(aminomethyl)-N-(3,5-dimethyl-1-adamantyl)-5-methylhexanamide;3-(aminomethyl)-N,5-dimethyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]hexanamide
• PubChem CID: 159391644
• Molecular Formula: C147H220N12O10S2
• Molecular Weight: 2379.58 g/mol
• Exact Mass: 2377.65
• IUPAC Name: 2-[1-(aminomethyl)cyclohexyl]-N-[3-(5,8-dihydronaphthalen-1-yloxy)-4-thiophen-2-ylbutyl]-N-methylacetamide;2-[1-(aminomethyl)cyclohexyl]-N-(3,5-dimethyl-1-adamantyl)acetamide;2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]acetamide;3-(aminomethyl)-N-[3-(5,8-dihydronaphthalen-1-yloxy)-4-thiophen-2-ylbutyl]-N,5-dimethylhexanamide;3-(aminomethyl)-N-(3,5-dimethyl-1-adamantyl)-5-methylhexanamide;3-(aminomethyl)-N,5-dimethyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]hexanamide
• SMILES: CC(C)CC(CN)CC(=O)N(C)CCC(Cc1cccs1)Oc1cccc2c1CC=CC2.CC(C)CC(CN)CC(=O)NC12CC3CC(C)(CC(C)(C3)C1)C2.CC12CC3CC(C)(C1)CC(NC(=O)CC1(CN)CCCCC1)(C3)C2.CN(CCC(Cc1cccs1)Oc1cccc2c1CC=CC2)C(=O)CC1(CN)CCCCC1.Cc1ccccc1OC(CCN(C)C(=O)CC(CN)CC(C)C)c1ccccc1.Cc1ccccc1OC(CCN(C)C(=O)CC1(CN)CCCCC1)c1ccccc1
• InChI: InChI=1S/C28H38N2O2S.C27H38N2O2S.C26H36N2O2.C25H36N2O2.C21H36N2O.C20H36N2O/c1-30(27(31)20-28(21-29)15-5-2-6-16-28)17-14-23(19-24-11-8-18-33-24)32-26-13-7-10-22-9-3-4-12-25(22)26;1-20(2)16-21(19-28)17-27(30)29(3)14-13-23(18-24-10-7-15-32-24)31-26-12-6-9-22-8-4-5-11-25(22)26;1-21-11-7-8-14-23(21)30-24(22-12-5-3-6-13-22)15-18-28(2)25(29)19-26(20-27)16-9-4-10-17-26;1-19(2)16-21(18-26)17-25(28)27(4)15-14-24(22-11-6-5-7-12-22)29-23-13-9-8-10-20(23)3;1-18-8-16-9-19(2,12-18)14-21(10-16,13-18)23-17(24)11-20(15-22)6-4-3-5-7-20;1-14(2)5-15(10-21)6-17(23)22-20-9-16-7-18(3,12-20)11-19(4,8-16)13-20/h3-4,7-8,10-11,13,18,23H,2,5-6,9,12,14-17,19-21,29H2,1H3;4-7,9-10,12,15,20-21,23H,8,11,13-14,16-19,28H2,1-3H3;3,5-8,11-14,24H,4,9-10,15-20,27H2,1-2H3;5-13,19,21,24H,14-18,26H2,1-4H3;16H,3-15,22H2,1-2H3,(H,23,24);14-16H,5-13,21H2,1-4H3,(H,22,23)
• InChIKey: LMEOCFVWXNCEIY-UHFFFAOYSA-N
• XLogP: 29.04
• TPSA: 332.48 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 52
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2379.58
LogP ≤ 5	29.04
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[3-(5,8-dihydronaphthalen-1-yloxy)-4-thiophen-2-ylbutyl]-N-methylacetamide;2-[1-(aminomethyl)cyclohexyl]-N-(3,5-dimethyl-1-adamantyl)acetamide;2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]acetamide;3-(aminomethyl)-N-[3-(5,8-dihydronaphthalen-1-yloxy)-4-thiophen-2-ylbutyl]-N,5-dimethylhexanamide;3-(aminomethyl)-N-(3,5-dimethyl-1-adamantyl)-5-methylhexanamide;3-(aminomethyl)-N,5-dimethyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]hexanamide?

The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[3-(5,8-dihydronaphthalen-1-yloxy)-4-thiophen-2-ylbutyl]-N-methylacetamide;2-[1-(aminomethyl)cyclohexyl]-N-(3,5-dimethyl-1-adamantyl)acetamide;2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]acetamide;3-(aminomethyl)-N-[3-(5,8-dihydronaphthalen-1-yloxy)-4-thiophen-2-ylbutyl]-N,5-dimethylhexanamide;3-(aminomethyl)-N-(3,5-dimethyl-1-adamantyl)-5-methylhexanamide;3-(aminomethyl)-N,5-dimethyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]hexanamide (CID 159391644) is 2-[1-(aminomethyl)cyclohexyl]-N-[3-(5,8-dihydronaphthalen-1-yloxy)-4-thiophen-2-ylbutyl]-N-methylacetamide;2-[1-(aminomethyl)cyclohexyl]-N-(3,5-dimethyl-1-adamantyl)acetamide;2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]acetamide;3-(aminomethyl)-N-[3-(5,8-dihydronaphthalen-1-yloxy)-4-thiophen-2-ylbutyl]-N,5-dimethylhexanamide;3-(aminomethyl)-N-(3,5-dimethyl-1-adamantyl)-5-methylhexanamide;3-(aminomethyl)-N,5-dimethyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]hexanamide.

What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-[3-(5,8-dihydronaphthalen-1-yloxy)-4-thiophen-2-ylbutyl]-N-methylacetamide;2-[1-(aminomethyl)cyclohexyl]-N-(3,5-dimethyl-1-adamantyl)acetamide;2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]acetamide;3-(aminomethyl)-N-[3-(5,8-dihydronaphthalen-1-yloxy)-4-thiophen-2-ylbutyl]-N,5-dimethylhexanamide;3-(aminomethyl)-N-(3,5-dimethyl-1-adamantyl)-5-methylhexanamide;3-(aminomethyl)-N,5-dimethyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]hexanamide?

The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-[3-(5,8-dihydronaphthalen-1-yloxy)-4-thiophen-2-ylbutyl]-N-methylacetamide;2-[1-(aminomethyl)cyclohexyl]-N-(3,5-dimethyl-1-adamantyl)acetamide;2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]acetamide;3-(aminomethyl)-N-[3-(5,8-dihydronaphthalen-1-yloxy)-4-thiophen-2-ylbutyl]-N,5-dimethylhexanamide;3-(aminomethyl)-N-(3,5-dimethyl-1-adamantyl)-5-methylhexanamide;3-(aminomethyl)-N,5-dimethyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]hexanamide is CC(C)CC(CN)CC(=O)N(C)CCC(Cc1cccs1)Oc1cccc2c1CC=CC2.CC(C)CC(CN)CC(=O)NC12CC3CC(C)(CC(C)(C3)C1)C2.CC12CC3CC(C)(C1)CC(NC(=O)CC1(CN)CCCCC1)(C3)C2.CN(CCC(Cc1cccs1)Oc1cccc2c1CC=CC2)C(=O)CC1(CN)CCCCC1.Cc1ccccc1OC(CCN(C)C(=O)CC(CN)CC(C)C)c1ccccc1.Cc1ccccc1OC(CCN(C)C(=O)CC1(CN)CCCCC1)c1ccccc1.

What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-[3-(5,8-dihydronaphthalen-1-yloxy)-4-thiophen-2-ylbutyl]-N-methylacetamide;2-[1-(aminomethyl)cyclohexyl]-N-(3,5-dimethyl-1-adamantyl)acetamide;2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]acetamide;3-(aminomethyl)-N-[3-(5,8-dihydronaphthalen-1-yloxy)-4-thiophen-2-ylbutyl]-N,5-dimethylhexanamide;3-(aminomethyl)-N-(3,5-dimethyl-1-adamantyl)-5-methylhexanamide;3-(aminomethyl)-N,5-dimethyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]hexanamide?

The InChIKey is LMEOCFVWXNCEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O2S.C27H38N2O2S.C26H36N2O2.C25H36N2O2.C21H36N2O.C20H36N2O/c1-30(27(31)20-28(21-29)15-5-2-6-16-28)17-14-23(19-24-11-8-18-33-24)32-26-13-7-10-22-9-3-4-12-25(22)26;1-20(2)16-21(19-28)17-27(30)29(3)14-13-23(18-24-10-7-15-32-24)31-26-12-6-9-22-8-4-5-11-25(22)26;1-21-11-7-8-14-23(21)30-24(22-12-5-3-6-13-22)15-18-28(2)25(29)19-26(20-27)16-9-4-10-17-26;1-19(2)16-21(18-26)17-25(28)27(4)15-14-24(22-11-6-5-7-12-22)29-23-13-9-8-10-20(23)3;1-18-8-16-9-19(2,12-18)14-21(10-16,13-18)23-17(24)11-20(15-22)6-4-3-5-7-20;1-14(2)5-15(10-21)6-17(23)22-20-9-16-7-18(3,12-20)11-19(4,8-16)13-20/h3-4,7-8,10-11,13,18,23H,2,5-6,9,12,14-17,19-21,29H2,1H3;4-7,9-10,12,15,20-21,23H,8,11,13-14,16-19,28H2,1-3H3;3,5-8,11-14,24H,4,9-10,15-20,27H2,1-2H3;5-13,19,21,24H,14-18,26H2,1-4H3;16H,3-15,22H2,1-2H3,(H,23,24);14-16H,5-13,21H2,1-4H3,(H,22,23).

What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-[3-(5,8-dihydronaphthalen-1-yloxy)-4-thiophen-2-ylbutyl]-N-methylacetamide;2-[1-(aminomethyl)cyclohexyl]-N-(3,5-dimethyl-1-adamantyl)acetamide;2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]acetamide;3-(aminomethyl)-N-[3-(5,8-dihydronaphthalen-1-yloxy)-4-thiophen-2-ylbutyl]-N,5-dimethylhexanamide;3-(aminomethyl)-N-(3,5-dimethyl-1-adamantyl)-5-methylhexanamide;3-(aminomethyl)-N,5-dimethyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]hexanamide?

2-[1-(aminomethyl)cyclohexyl]-N-[3-(5,8-dihydronaphthalen-1-yloxy)-4-thiophen-2-ylbutyl]-N-methylacetamide;2-[1-(aminomethyl)cyclohexyl]-N-(3,5-dimethyl-1-adamantyl)acetamide;2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]acetamide;3-(aminomethyl)-N-[3-(5,8-dihydronaphthalen-1-yloxy)-4-thiophen-2-ylbutyl]-N,5-dimethylhexanamide;3-(aminomethyl)-N-(3,5-dimethyl-1-adamantyl)-5-methylhexanamide;3-(aminomethyl)-N,5-dimethyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]hexanamide has a molecular weight of 2379.58 g/mol, XLogP of 29.04, 52 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(aminomethyl)cyclohexyl]-N-[3-(5,8-dihydronaphthalen-1-yloxy)-4-thiophen-2-ylbutyl]-N-methylacetamide;2-[1-(aminomethyl)cyclohexyl]-N-(3,5-dimethyl-1-adamantyl)acetamide;2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]acetamide;3-(aminomethyl)-N-[3-(5,8-dihydronaphthalen-1-yloxy)-4-thiophen-2-ylbutyl]-N,5-dimethylhexanamide;3-(aminomethyl)-N-(3,5-dimethyl-1-adamantyl)-5-methylhexanamide;3-(aminomethyl)-N,5-dimethyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]hexanamide is sourced from PubChem (CID 159391644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).