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

C35H53N5 — CID 142510996

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

1-[4-cyclobutylidene-2-[C-[(1E)-2,3-dimethylbuta-1,3-dienyl]-N-methylcarbonimidoyl]pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylazetidin-3-amine;(Z)-3,4-dimethyloct-4-ene (PubChem CID 142510996) has the molecular formula C35H53N5 and a molecular weight of 543.84 g/mol. Its IUPAC name is 1-[4-cyclobutylidene-2-[C-[(1E)-2,3-dimethylbuta-1,3-dienyl]-N-methylcarbonimidoyl]pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylazetidin-3-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]pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylazetidin-3-amine;(Z)-3,4-dimethyloct-4-ene
• PubChem CID: 142510996
• Molecular Formula: C35H53N5
• Molecular Weight: 543.84 g/mol
• Exact Mass: 543.43
• IUPAC Name: 1-[4-cyclobutylidene-2-[C-[(1E)-2,3-dimethylbuta-1,3-dienyl]-N-methylcarbonimidoyl]pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylazetidin-3-amine;(Z)-3,4-dimethyloct-4-ene
• SMILES: C=C(C)/C(C)=C/C(=N\C)C1=CC(=C2CCC2)N2C=C(N3CC(N(C)C)C3)C=CC2=N1.CCC/C=C(/C)C(C)CC
• InChI: InChI=1S/C25H33N5.C10H20/c1-17(2)18(3)12-22(26-4)23-13-24(19-8-7-9-19)30-16-20(10-11-25(30)27-23)29-14-21(15-29)28(5)6;1-5-7-8-10(4)9(3)6-2/h10-13,16,21H,1,7-9,14-15H2,2-6H3;8-9H,5-7H2,1-4H3/b18-12+,26-22+;10-8-
• InChIKey: APAJFOQQRMPHPA-COYAQATJSA-N
• XLogP: 8.05
• TPSA: 34.44 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.84
LogP ≤ 5	8.05
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]pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylazetidin-3-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]pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylazetidin-3-amine;(Z)-3,4-dimethyloct-4-ene (CID 142510996) is 1-[4-cyclobutylidene-2-[C-[(1E)-2,3-dimethylbuta-1,3-dienyl]-N-methylcarbonimidoyl]pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylazetidin-3-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]pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylazetidin-3-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]pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylazetidin-3-amine;(Z)-3,4-dimethyloct-4-ene is C=C(C)/C(C)=C/C(=N\C)C1=CC(=C2CCC2)N2C=C(N3CC(N(C)C)C3)C=CC2=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]pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylazetidin-3-amine;(Z)-3,4-dimethyloct-4-ene?

The InChIKey is APAJFOQQRMPHPA-COYAQATJSA-N. The full InChI is InChI=1S/C25H33N5.C10H20/c1-17(2)18(3)12-22(26-4)23-13-24(19-8-7-9-19)30-16-20(10-11-25(30)27-23)29-14-21(15-29)28(5)6;1-5-7-8-10(4)9(3)6-2/h10-13,16,21H,1,7-9,14-15H2,2-6H3;8-9H,5-7H2,1-4H3/b18-12+,26-22+;10-8-.

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

1-[4-cyclobutylidene-2-[C-[(1E)-2,3-dimethylbuta-1,3-dienyl]-N-methylcarbonimidoyl]pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylazetidin-3-amine;(Z)-3,4-dimethyloct-4-ene has a molecular weight of 543.84 g/mol, XLogP of 8.05, 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]pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylazetidin-3-amine;(Z)-3,4-dimethyloct-4-ene is sourced from PubChem (CID 142510996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).