4-[1-[butyl(methyl)amino]ethenyl]-3-[(Z,2E)-2-(dimethylaminomethylidene)hex-3-enyl]-N-ethenyl-N-methyl-2-(2-methylpropyl)-1,2-dihydroimidazol-5-amine

C26H47N5 — CID 135268835

About 4-[1-[butyl(methyl)amino]ethenyl]-3-[(Z,2E)-2-(dimethylaminomethylidene)hex-3-enyl]-N-ethenyl-N-methyl-2-(2-methylpropyl)-1,2-dihydroimidazol-5-amine

4-[1-[butyl(methyl)amino]ethenyl]-3-[(Z,2E)-2-(dimethylaminomethylidene)hex-3-enyl]-N-ethenyl-N-methyl-2-(2-methylpropyl)-1,2-dihydroimidazol-5-amine (PubChem CID 135268835) has the molecular formula C26H47N5 and a molecular weight of 429.70 g/mol. Its IUPAC name is 4-[1-[butyl(methyl)amino]ethenyl]-3-[(Z,2E)-2-(dimethylaminomethylidene)hex-3-enyl]-N-ethenyl-N-methyl-2-(2-methylpropyl)-1,2-dihydroimidazol-5-amine.

Molecular Properties

• Compound Name: 4-[1-[butyl(methyl)amino]ethenyl]-3-[(Z,2E)-2-(dimethylaminomethylidene)hex-3-enyl]-N-ethenyl-N-methyl-2-(2-methylpropyl)-1,2-dihydroimidazol-5-amine
• PubChem CID: 135268835
• Molecular Formula: C26H47N5
• Molecular Weight: 429.70 g/mol
• Exact Mass: 429.38
• IUPAC Name: 4-[1-[butyl(methyl)amino]ethenyl]-3-[(Z,2E)-2-(dimethylaminomethylidene)hex-3-enyl]-N-ethenyl-N-methyl-2-(2-methylpropyl)-1,2-dihydroimidazol-5-amine
• SMILES: C=CN(C)C1=C(C(=C)N(C)CCCC)N(CC(/C=C\CC)=C/N(C)C)C(CC(C)C)N1
• InChI: InChI=1S/C26H47N5/c1-11-14-16-23(19-28(7)8)20-31-24(18-21(4)5)27-26(29(9)13-3)25(31)22(6)30(10)17-15-12-2/h13-14,16,19,21,24,27H,3,6,11-12,15,17-18,20H2,1-2,4-5,7-10H3/b16-14-,23-19+
• InChIKey: HYHLJBVLEJAUDH-RCZULLIWSA-N
• XLogP: 5.17
• TPSA: 24.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.70
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[1-[butyl(methyl)amino]ethenyl]-3-[(Z,2E)-2-(dimethylaminomethylidene)hex-3-enyl]-N-ethenyl-N-methyl-2-(2-methylpropyl)-1,2-dihydroimidazol-5-amine?

The IUPAC name of 4-[1-[butyl(methyl)amino]ethenyl]-3-[(Z,2E)-2-(dimethylaminomethylidene)hex-3-enyl]-N-ethenyl-N-methyl-2-(2-methylpropyl)-1,2-dihydroimidazol-5-amine (CID 135268835) is 4-[1-[butyl(methyl)amino]ethenyl]-3-[(Z,2E)-2-(dimethylaminomethylidene)hex-3-enyl]-N-ethenyl-N-methyl-2-(2-methylpropyl)-1,2-dihydroimidazol-5-amine.

What is the SMILES notation for 4-[1-[butyl(methyl)amino]ethenyl]-3-[(Z,2E)-2-(dimethylaminomethylidene)hex-3-enyl]-N-ethenyl-N-methyl-2-(2-methylpropyl)-1,2-dihydroimidazol-5-amine?

The canonical SMILES for 4-[1-[butyl(methyl)amino]ethenyl]-3-[(Z,2E)-2-(dimethylaminomethylidene)hex-3-enyl]-N-ethenyl-N-methyl-2-(2-methylpropyl)-1,2-dihydroimidazol-5-amine is C=CN(C)C1=C(C(=C)N(C)CCCC)N(CC(/C=C\CC)=C/N(C)C)C(CC(C)C)N1.

What is the InChIKey of 4-[1-[butyl(methyl)amino]ethenyl]-3-[(Z,2E)-2-(dimethylaminomethylidene)hex-3-enyl]-N-ethenyl-N-methyl-2-(2-methylpropyl)-1,2-dihydroimidazol-5-amine?

The InChIKey is HYHLJBVLEJAUDH-RCZULLIWSA-N. The full InChI is InChI=1S/C26H47N5/c1-11-14-16-23(19-28(7)8)20-31-24(18-21(4)5)27-26(29(9)13-3)25(31)22(6)30(10)17-15-12-2/h13-14,16,19,21,24,27H,3,6,11-12,15,17-18,20H2,1-2,4-5,7-10H3/b16-14-,23-19+.

What are the key properties of 4-[1-[butyl(methyl)amino]ethenyl]-3-[(Z,2E)-2-(dimethylaminomethylidene)hex-3-enyl]-N-ethenyl-N-methyl-2-(2-methylpropyl)-1,2-dihydroimidazol-5-amine?

4-[1-[butyl(methyl)amino]ethenyl]-3-[(Z,2E)-2-(dimethylaminomethylidene)hex-3-enyl]-N-ethenyl-N-methyl-2-(2-methylpropyl)-1,2-dihydroimidazol-5-amine has a molecular weight of 429.70 g/mol, XLogP of 5.17, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[butyl(methyl)amino]ethenyl]-3-[(Z,2E)-2-(dimethylaminomethylidene)hex-3-enyl]-N-ethenyl-N-methyl-2-(2-methylpropyl)-1,2-dihydroimidazol-5-amine is sourced from PubChem (CID 135268835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).