1-[4-cyclobutylidene-2-[C-[(1E)-2,3-dimethylbuta-1,3-dienyl]-N-methylcarbonimidoyl]-9-methylpyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylpiperidin-4-amine;(Z)-3,4-dimethyloct-4-ene

C38H59N5 — CID 142511338

About 1-[4-cyclobutylidene-2-[C-[(1E)-2,3-dimethylbuta-1,3-dienyl]-N-methylcarbonimidoyl]-9-methylpyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylpiperidin-4-amine;(Z)-3,4-dimethyloct-4-ene

1-[4-cyclobutylidene-2-[C-[(1E)-2,3-dimethylbuta-1,3-dienyl]-N-methylcarbonimidoyl]-9-methylpyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylpiperidin-4-amine;(Z)-3,4-dimethyloct-4-ene (PubChem CID 142511338) has the molecular formula C38H59N5 and a molecular weight of 585.93 g/mol. Its IUPAC name is 1-[4-cyclobutylidene-2-[C-[(1E)-2,3-dimethylbuta-1,3-dienyl]-N-methylcarbonimidoyl]-9-methylpyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylpiperidin-4-amine;(Z)-3,4-dimethyloct-4-ene.

Molecular Properties

• Compound Name: 1-[4-cyclobutylidene-2-[C-[(1E)-2,3-dimethylbuta-1,3-dienyl]-N-methylcarbonimidoyl]-9-methylpyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylpiperidin-4-amine;(Z)-3,4-dimethyloct-4-ene
• PubChem CID: 142511338
• Molecular Formula: C38H59N5
• Molecular Weight: 585.93 g/mol
• Exact Mass: 585.48
• IUPAC Name: 1-[4-cyclobutylidene-2-[C-[(1E)-2,3-dimethylbuta-1,3-dienyl]-N-methylcarbonimidoyl]-9-methylpyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylpiperidin-4-amine;(Z)-3,4-dimethyloct-4-ene
• SMILES: C=C(C)/C(C)=C/C(=N\C)C1=CC(=C2CCC2)N2C=C(N3CCC(N(C)C)CC3)C=C(C)C2=N1.CCC/C=C(/C)C(C)CC
• InChI: InChI=1S/C28H39N5.C10H20/c1-19(2)20(3)16-25(29-5)26-17-27(22-9-8-10-22)33-18-24(15-21(4)28(33)30-26)32-13-11-23(12-14-32)31(6)7;1-5-7-8-10(4)9(3)6-2/h15-18,23H,1,8-14H2,2-7H3;8-9H,5-7H2,1-4H3/b20-16+,29-25+;10-8-
• InChIKey: YMUOJHXSDYXGME-XFLADYDMSA-N
• XLogP: 9.22
• TPSA: 34.44 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.93
LogP ≤ 5	9.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-cyclobutylidene-2-[C-[(1E)-2,3-dimethylbuta-1,3-dienyl]-N-methylcarbonimidoyl]-9-methylpyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylpiperidin-4-amine;(Z)-3,4-dimethyloct-4-ene?

The IUPAC name of 1-[4-cyclobutylidene-2-[C-[(1E)-2,3-dimethylbuta-1,3-dienyl]-N-methylcarbonimidoyl]-9-methylpyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylpiperidin-4-amine;(Z)-3,4-dimethyloct-4-ene (CID 142511338) is 1-[4-cyclobutylidene-2-[C-[(1E)-2,3-dimethylbuta-1,3-dienyl]-N-methylcarbonimidoyl]-9-methylpyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylpiperidin-4-amine;(Z)-3,4-dimethyloct-4-ene.

What is the SMILES notation for 1-[4-cyclobutylidene-2-[C-[(1E)-2,3-dimethylbuta-1,3-dienyl]-N-methylcarbonimidoyl]-9-methylpyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylpiperidin-4-amine;(Z)-3,4-dimethyloct-4-ene?

The canonical SMILES for 1-[4-cyclobutylidene-2-[C-[(1E)-2,3-dimethylbuta-1,3-dienyl]-N-methylcarbonimidoyl]-9-methylpyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylpiperidin-4-amine;(Z)-3,4-dimethyloct-4-ene is C=C(C)/C(C)=C/C(=N\C)C1=CC(=C2CCC2)N2C=C(N3CCC(N(C)C)CC3)C=C(C)C2=N1.CCC/C=C(/C)C(C)CC.

What is the InChIKey of 1-[4-cyclobutylidene-2-[C-[(1E)-2,3-dimethylbuta-1,3-dienyl]-N-methylcarbonimidoyl]-9-methylpyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylpiperidin-4-amine;(Z)-3,4-dimethyloct-4-ene?

The InChIKey is YMUOJHXSDYXGME-XFLADYDMSA-N. The full InChI is InChI=1S/C28H39N5.C10H20/c1-19(2)20(3)16-25(29-5)26-17-27(22-9-8-10-22)33-18-24(15-21(4)28(33)30-26)32-13-11-23(12-14-32)31(6)7;1-5-7-8-10(4)9(3)6-2/h15-18,23H,1,8-14H2,2-7H3;8-9H,5-7H2,1-4H3/b20-16+,29-25+;10-8-.

What are the key properties of 1-[4-cyclobutylidene-2-[C-[(1E)-2,3-dimethylbuta-1,3-dienyl]-N-methylcarbonimidoyl]-9-methylpyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylpiperidin-4-amine;(Z)-3,4-dimethyloct-4-ene?

1-[4-cyclobutylidene-2-[C-[(1E)-2,3-dimethylbuta-1,3-dienyl]-N-methylcarbonimidoyl]-9-methylpyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylpiperidin-4-amine;(Z)-3,4-dimethyloct-4-ene has a molecular weight of 585.93 g/mol, XLogP of 9.22, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-cyclobutylidene-2-[C-[(1E)-2,3-dimethylbuta-1,3-dienyl]-N-methylcarbonimidoyl]-9-methylpyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylpiperidin-4-amine;(Z)-3,4-dimethyloct-4-ene is sourced from PubChem (CID 142511338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).