(Z)-but-2-ene;9-butyl-13-methyl-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene;ethane;prop-1-ene

C33H50N2 — CID 142119296

About (Z)-but-2-ene;9-butyl-13-methyl-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene;ethane;prop-1-ene

(Z)-but-2-ene;9-butyl-13-methyl-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene;ethane;prop-1-ene (PubChem CID 142119296) has the molecular formula C33H50N2 and a molecular weight of 474.78 g/mol. Its IUPAC name is (Z)-but-2-ene;9-butyl-13-methyl-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene;ethane;prop-1-ene.

Molecular Properties

• Compound Name: (Z)-but-2-ene;9-butyl-13-methyl-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene;ethane;prop-1-ene
• PubChem CID: 142119296
• Molecular Formula: C33H50N2
• Molecular Weight: 474.78 g/mol
• Exact Mass: 474.40
• IUPAC Name: (Z)-but-2-ene;9-butyl-13-methyl-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene;ethane;prop-1-ene
• SMILES: C/C=C\C.C=CC.CC.CCCCC1=Cc2cc(C)ccc2C(C2CCNCC2)c2ncccc21
• InChI: InChI=1S/C24H30N2.C4H8.C3H6.C2H6/c1-3-4-6-19-16-20-15-17(2)8-9-21(20)23(18-10-13-25-14-11-18)24-22(19)7-5-12-26-24;1-3-4-2;1-3-2;1-2/h5,7-9,12,15-16,18,23,25H,3-4,6,10-11,13-14H2,1-2H3;3-4H,1-2H3;3H,1H2,2H3;1-2H3/b;4-3-
• InChIKey: LJPLOTFITNWUBF-MECAPONASA-N
• XLogP: 9.37
• TPSA: 24.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.78
LogP ≤ 5	9.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;9-butyl-13-methyl-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene;ethane;prop-1-ene?

The IUPAC name of (Z)-but-2-ene;9-butyl-13-methyl-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene;ethane;prop-1-ene (CID 142119296) is (Z)-but-2-ene;9-butyl-13-methyl-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene;ethane;prop-1-ene.

What is the SMILES notation for (Z)-but-2-ene;9-butyl-13-methyl-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene;ethane;prop-1-ene?

The canonical SMILES for (Z)-but-2-ene;9-butyl-13-methyl-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene;ethane;prop-1-ene is C/C=C\C.C=CC.CC.CCCCC1=Cc2cc(C)ccc2C(C2CCNCC2)c2ncccc21.

What is the InChIKey of (Z)-but-2-ene;9-butyl-13-methyl-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene;ethane;prop-1-ene?

The InChIKey is LJPLOTFITNWUBF-MECAPONASA-N. The full InChI is InChI=1S/C24H30N2.C4H8.C3H6.C2H6/c1-3-4-6-19-16-20-15-17(2)8-9-21(20)23(18-10-13-25-14-11-18)24-22(19)7-5-12-26-24;1-3-4-2;1-3-2;1-2/h5,7-9,12,15-16,18,23,25H,3-4,6,10-11,13-14H2,1-2H3;3-4H,1-2H3;3H,1H2,2H3;1-2H3/b;4-3-;;.

What are the key properties of (Z)-but-2-ene;9-butyl-13-methyl-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene;ethane;prop-1-ene?

(Z)-but-2-ene;9-butyl-13-methyl-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene;ethane;prop-1-ene has a molecular weight of 474.78 g/mol, XLogP of 9.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-but-2-ene;9-butyl-13-methyl-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene;ethane;prop-1-ene is sourced from PubChem (CID 142119296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).