1-[5-[[5-(2-amino-2-methylpropyl)-4-[(Z)-prop-1-enyl]-1,2-dihydropyridin-3-yl]methyl]cyclohepta-1,3,4,6-tetraen-1-yl]ethanone;ethane

C24H34N2O — CID 142214733

About 1-[5-[[5-(2-amino-2-methylpropyl)-4-[(Z)-prop-1-enyl]-1,2-dihydropyridin-3-yl]methyl]cyclohepta-1,3,4,6-tetraen-1-yl]ethanone;ethane

1-[5-[[5-(2-amino-2-methylpropyl)-4-[(Z)-prop-1-enyl]-1,2-dihydropyridin-3-yl]methyl]cyclohepta-1,3,4,6-tetraen-1-yl]ethanone;ethane (PubChem CID 142214733) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is 1-[5-[[5-(2-amino-2-methylpropyl)-4-[(Z)-prop-1-enyl]-1,2-dihydropyridin-3-yl]methyl]cyclohepta-1,3,4,6-tetraen-1-yl]ethanone;ethane.

Molecular Properties

• Compound Name: 1-[5-[[5-(2-amino-2-methylpropyl)-4-[(Z)-prop-1-enyl]-1,2-dihydropyridin-3-yl]methyl]cyclohepta-1,3,4,6-tetraen-1-yl]ethanone;ethane
• PubChem CID: 142214733
• Molecular Formula: C24H34N2O
• Molecular Weight: 366.55 g/mol
• Exact Mass: 366.27
• IUPAC Name: 1-[5-[[5-(2-amino-2-methylpropyl)-4-[(Z)-prop-1-enyl]-1,2-dihydropyridin-3-yl]methyl]cyclohepta-1,3,4,6-tetraen-1-yl]ethanone;ethane
• SMILES: C/C=C\C1=C(CC2=C=CC=C(C(C)=O)C=C2)CNC=C1CC(C)(C)N.CC
• InChI: InChI=1S/C22H28N2O.C2H6/c1-5-7-21-19(14-24-15-20(21)13-22(3,4)23)12-17-8-6-9-18(11-10-17)16(2)25;1-2/h5-7,9-11,15,24H,12-14,23H2,1-4H3;1-2H3/b7-5-
• InChIKey: PLEYTKFLYSRNFE-YJOCEBFMSA-N
• XLogP: 5.06
• TPSA: 55.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	366.55
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[5-(2-amino-2-methylpropyl)-4-[(Z)-prop-1-enyl]-1,2-dihydropyridin-3-yl]methyl]cyclohepta-1,3,4,6-tetraen-1-yl]ethanone;ethane?

The IUPAC name of 1-[5-[[5-(2-amino-2-methylpropyl)-4-[(Z)-prop-1-enyl]-1,2-dihydropyridin-3-yl]methyl]cyclohepta-1,3,4,6-tetraen-1-yl]ethanone;ethane (CID 142214733) is 1-[5-[[5-(2-amino-2-methylpropyl)-4-[(Z)-prop-1-enyl]-1,2-dihydropyridin-3-yl]methyl]cyclohepta-1,3,4,6-tetraen-1-yl]ethanone;ethane.

What is the SMILES notation for 1-[5-[[5-(2-amino-2-methylpropyl)-4-[(Z)-prop-1-enyl]-1,2-dihydropyridin-3-yl]methyl]cyclohepta-1,3,4,6-tetraen-1-yl]ethanone;ethane?

The canonical SMILES for 1-[5-[[5-(2-amino-2-methylpropyl)-4-[(Z)-prop-1-enyl]-1,2-dihydropyridin-3-yl]methyl]cyclohepta-1,3,4,6-tetraen-1-yl]ethanone;ethane is C/C=C\C1=C(CC2=C=CC=C(C(C)=O)C=C2)CNC=C1CC(C)(C)N.CC.

What is the InChIKey of 1-[5-[[5-(2-amino-2-methylpropyl)-4-[(Z)-prop-1-enyl]-1,2-dihydropyridin-3-yl]methyl]cyclohepta-1,3,4,6-tetraen-1-yl]ethanone;ethane?

The InChIKey is PLEYTKFLYSRNFE-YJOCEBFMSA-N. The full InChI is InChI=1S/C22H28N2O.C2H6/c1-5-7-21-19(14-24-15-20(21)13-22(3,4)23)12-17-8-6-9-18(11-10-17)16(2)25;1-2/h5-7,9-11,15,24H,12-14,23H2,1-4H3;1-2H3/b7-5-;.

What are the key properties of 1-[5-[[5-(2-amino-2-methylpropyl)-4-[(Z)-prop-1-enyl]-1,2-dihydropyridin-3-yl]methyl]cyclohepta-1,3,4,6-tetraen-1-yl]ethanone;ethane?

1-[5-[[5-(2-amino-2-methylpropyl)-4-[(Z)-prop-1-enyl]-1,2-dihydropyridin-3-yl]methyl]cyclohepta-1,3,4,6-tetraen-1-yl]ethanone;ethane has a molecular weight of 366.55 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[[5-(2-amino-2-methylpropyl)-4-[(Z)-prop-1-enyl]-1,2-dihydropyridin-3-yl]methyl]cyclohepta-1,3,4,6-tetraen-1-yl]ethanone;ethane is sourced from PubChem (CID 142214733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).