4-(4-amino-2-methylbutan-2-yl)oxy-N-[3-[3-(3-formamidopropanoylamino)propyl-methylamino]propyl]-2,2-dimethylbutanamide;3-(methylamino)propanal;1-methylimidazole-2-carbaldehyde;1-methyl-4-(methylamino)imidazole-2-carbaldehyde;1-methyl-4-(methylamino)pyrrole-2-carbaldehyde;3-[1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethenylamino]propanal;N,1,2-trimethylimidazol-4-amine

C61H107N19O9 — CID 172574651

About 4-(4-amino-2-methylbutan-2-yl)oxy-N-[3-[3-(3-formamidopropanoylamino)propyl-methylamino]propyl]-2,2-dimethylbutanamide;3-(methylamino)propanal;1-methylimidazole-2-carbaldehyde;1-methyl-4-(methylamino)imidazole-2-carbaldehyde;1-methyl-4-(methylamino)pyrrole-2-carbaldehyde;3-[1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethenylamino]propanal;N,1,2-trimethylimidazol-4-amine

4-(4-amino-2-methylbutan-2-yl)oxy-N-[3-[3-(3-formamidopropanoylamino)propyl-methylamino]propyl]-2,2-dimethylbutanamide;3-(methylamino)propanal;1-methylimidazole-2-carbaldehyde;1-methyl-4-(methylamino)imidazole-2-carbaldehyde;1-methyl-4-(methylamino)pyrrole-2-carbaldehyde;3-[1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethenylamino]propanal;N,1,2-trimethylimidazol-4-amine (PubChem CID 172574651) has the molecular formula C61H107N19O9 and a molecular weight of 1250.65 g/mol. Its IUPAC name is 4-(4-amino-2-methylbutan-2-yl)oxy-N-[3-[3-(3-formamidopropanoylamino)propyl-methylamino]propyl]-2,2-dimethylbutanamide;3-(methylamino)propanal;1-methylimidazole-2-carbaldehyde;1-methyl-4-(methylamino)imidazole-2-carbaldehyde;1-methyl-4-(methylamino)pyrrole-2-carbaldehyde;3-[1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethenylamino]propanal;N,1,2-trimethylimidazol-4-amine.

Molecular Properties

• Compound Name: 4-(4-amino-2-methylbutan-2-yl)oxy-N-[3-[3-(3-formamidopropanoylamino)propyl-methylamino]propyl]-2,2-dimethylbutanamide;3-(methylamino)propanal;1-methylimidazole-2-carbaldehyde;1-methyl-4-(methylamino)imidazole-2-carbaldehyde;1-methyl-4-(methylamino)pyrrole-2-carbaldehyde;3-[1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethenylamino]propanal;N,1,2-trimethylimidazol-4-amine
• PubChem CID: 172574651
• Molecular Formula: C61H107N19O9
• Molecular Weight: 1250.65 g/mol
• Exact Mass: 1249.85
• IUPAC Name: 4-(4-amino-2-methylbutan-2-yl)oxy-N-[3-[3-(3-formamidopropanoylamino)propyl-methylamino]propyl]-2,2-dimethylbutanamide;3-(methylamino)propanal;1-methylimidazole-2-carbaldehyde;1-methyl-4-(methylamino)imidazole-2-carbaldehyde;1-methyl-4-(methylamino)pyrrole-2-carbaldehyde;3-[1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethenylamino]propanal;N,1,2-trimethylimidazol-4-amine
• SMILES: C=C(NCCC=O)c1cc(NC)cn1C.CN(CCCNC(=O)CCNC=O)CCCNC(=O)C(C)(C)CCOC(C)(C)CCN.CNCCC=O.CNc1cc(C=O)n(C)c1.CNc1cn(C)c(C)n1.CNc1cn(C)c(C=O)n1.Cn1ccnc1C=O
• InChI: InChI=1S/C22H45N5O4.C11H17N3O.C7H10N2O.C6H9N3O.C6H11N3.C5H6N2O.C4H9NO/c1-21(2,10-17-31-22(3,4)9-11-23)20(30)26-13-7-16-27(5)15-6-12-25-19(29)8-14-24-18-28;1-9(13-5-4-6-15)11-7-10(12-2)8-14(11)3;1-8-6-3-7(5-10)9(2)4-6;1-7-5-3-9(2)6(4-10)8-5;1-5-8-6(7-2)4-9(5)3;1-7-3-2-6-5(7)4-8;1-5-3-2-4-6/h18H,6-17,23H2,1-5H3,(H,24,28)(H,25,29)(H,26,30);6-8,12-13H,1,4-5H2,2-3H3;3-5,8H,1-2H3;3-4,7H,1-2H3;4,7H,1-3H3;2-4H,1H3;4-5H,2-3H2,1H3
• InChIKey: WQVVDISYKDBURH-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 346.64 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 34
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1250.65
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-methylbutan-2-yl)oxy-N-[3-[3-(3-formamidopropanoylamino)propyl-methylamino]propyl]-2,2-dimethylbutanamide;3-(methylamino)propanal;1-methylimidazole-2-carbaldehyde;1-methyl-4-(methylamino)imidazole-2-carbaldehyde;1-methyl-4-(methylamino)pyrrole-2-carbaldehyde;3-[1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethenylamino]propanal;N,1,2-trimethylimidazol-4-amine?

The IUPAC name of 4-(4-amino-2-methylbutan-2-yl)oxy-N-[3-[3-(3-formamidopropanoylamino)propyl-methylamino]propyl]-2,2-dimethylbutanamide;3-(methylamino)propanal;1-methylimidazole-2-carbaldehyde;1-methyl-4-(methylamino)imidazole-2-carbaldehyde;1-methyl-4-(methylamino)pyrrole-2-carbaldehyde;3-[1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethenylamino]propanal;N,1,2-trimethylimidazol-4-amine (CID 172574651) is 4-(4-amino-2-methylbutan-2-yl)oxy-N-[3-[3-(3-formamidopropanoylamino)propyl-methylamino]propyl]-2,2-dimethylbutanamide;3-(methylamino)propanal;1-methylimidazole-2-carbaldehyde;1-methyl-4-(methylamino)imidazole-2-carbaldehyde;1-methyl-4-(methylamino)pyrrole-2-carbaldehyde;3-[1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethenylamino]propanal;N,1,2-trimethylimidazol-4-amine.

What is the SMILES notation for 4-(4-amino-2-methylbutan-2-yl)oxy-N-[3-[3-(3-formamidopropanoylamino)propyl-methylamino]propyl]-2,2-dimethylbutanamide;3-(methylamino)propanal;1-methylimidazole-2-carbaldehyde;1-methyl-4-(methylamino)imidazole-2-carbaldehyde;1-methyl-4-(methylamino)pyrrole-2-carbaldehyde;3-[1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethenylamino]propanal;N,1,2-trimethylimidazol-4-amine?

The canonical SMILES for 4-(4-amino-2-methylbutan-2-yl)oxy-N-[3-[3-(3-formamidopropanoylamino)propyl-methylamino]propyl]-2,2-dimethylbutanamide;3-(methylamino)propanal;1-methylimidazole-2-carbaldehyde;1-methyl-4-(methylamino)imidazole-2-carbaldehyde;1-methyl-4-(methylamino)pyrrole-2-carbaldehyde;3-[1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethenylamino]propanal;N,1,2-trimethylimidazol-4-amine is C=C(NCCC=O)c1cc(NC)cn1C.CN(CCCNC(=O)CCNC=O)CCCNC(=O)C(C)(C)CCOC(C)(C)CCN.CNCCC=O.CNc1cc(C=O)n(C)c1.CNc1cn(C)c(C)n1.CNc1cn(C)c(C=O)n1.Cn1ccnc1C=O.

What is the InChIKey of 4-(4-amino-2-methylbutan-2-yl)oxy-N-[3-[3-(3-formamidopropanoylamino)propyl-methylamino]propyl]-2,2-dimethylbutanamide;3-(methylamino)propanal;1-methylimidazole-2-carbaldehyde;1-methyl-4-(methylamino)imidazole-2-carbaldehyde;1-methyl-4-(methylamino)pyrrole-2-carbaldehyde;3-[1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethenylamino]propanal;N,1,2-trimethylimidazol-4-amine?

The InChIKey is WQVVDISYKDBURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45N5O4.C11H17N3O.C7H10N2O.C6H9N3O.C6H11N3.C5H6N2O.C4H9NO/c1-21(2,10-17-31-22(3,4)9-11-23)20(30)26-13-7-16-27(5)15-6-12-25-19(29)8-14-24-18-28;1-9(13-5-4-6-15)11-7-10(12-2)8-14(11)3;1-8-6-3-7(5-10)9(2)4-6;1-7-5-3-9(2)6(4-10)8-5;1-5-8-6(7-2)4-9(5)3;1-7-3-2-6-5(7)4-8;1-5-3-2-4-6/h18H,6-17,23H2,1-5H3,(H,24,28)(H,25,29)(H,26,30);6-8,12-13H,1,4-5H2,2-3H3;3-5,8H,1-2H3;3-4,7H,1-2H3;4,7H,1-3H3;2-4H,1H3;4-5H,2-3H2,1H3.

What are the key properties of 4-(4-amino-2-methylbutan-2-yl)oxy-N-[3-[3-(3-formamidopropanoylamino)propyl-methylamino]propyl]-2,2-dimethylbutanamide;3-(methylamino)propanal;1-methylimidazole-2-carbaldehyde;1-methyl-4-(methylamino)imidazole-2-carbaldehyde;1-methyl-4-(methylamino)pyrrole-2-carbaldehyde;3-[1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethenylamino]propanal;N,1,2-trimethylimidazol-4-amine?

4-(4-amino-2-methylbutan-2-yl)oxy-N-[3-[3-(3-formamidopropanoylamino)propyl-methylamino]propyl]-2,2-dimethylbutanamide;3-(methylamino)propanal;1-methylimidazole-2-carbaldehyde;1-methyl-4-(methylamino)imidazole-2-carbaldehyde;1-methyl-4-(methylamino)pyrrole-2-carbaldehyde;3-[1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethenylamino]propanal;N,1,2-trimethylimidazol-4-amine has a molecular weight of 1250.65 g/mol, XLogP of 3.79, 34 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-amino-2-methylbutan-2-yl)oxy-N-[3-[3-(3-formamidopropanoylamino)propyl-methylamino]propyl]-2,2-dimethylbutanamide;3-(methylamino)propanal;1-methylimidazole-2-carbaldehyde;1-methyl-4-(methylamino)imidazole-2-carbaldehyde;1-methyl-4-(methylamino)pyrrole-2-carbaldehyde;3-[1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethenylamino]propanal;N,1,2-trimethylimidazol-4-amine is sourced from PubChem (CID 172574651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).