2-ethenyl-1-ethyl-N-[(3Z,6Z)-5-methylnona-1,3,6,8-tetraen-5-yl]-N-phenyl-3H-inden-5-amine

C29H31N — CID 155684100

About 2-ethenyl-1-ethyl-N-[(3Z,6Z)-5-methylnona-1,3,6,8-tetraen-5-yl]-N-phenyl-3H-inden-5-amine

2-ethenyl-1-ethyl-N-[(3Z,6Z)-5-methylnona-1,3,6,8-tetraen-5-yl]-N-phenyl-3H-inden-5-amine (PubChem CID 155684100) has the molecular formula C29H31N and a molecular weight of 393.57 g/mol. Its IUPAC name is 2-ethenyl-1-ethyl-N-[(3Z,6Z)-5-methylnona-1,3,6,8-tetraen-5-yl]-N-phenyl-3H-inden-5-amine.

Molecular Properties

• Compound Name: 2-ethenyl-1-ethyl-N-[(3Z,6Z)-5-methylnona-1,3,6,8-tetraen-5-yl]-N-phenyl-3H-inden-5-amine
• PubChem CID: 155684100
• Molecular Formula: C29H31N
• Molecular Weight: 393.57 g/mol
• Exact Mass: 393.25
• IUPAC Name: 2-ethenyl-1-ethyl-N-[(3Z,6Z)-5-methylnona-1,3,6,8-tetraen-5-yl]-N-phenyl-3H-inden-5-amine
• SMILES: C=C/C=C\C(C)(/C=C\C=C)N(c1ccccc1)c1ccc2c(c1)CC(C=C)=C2CC
• InChI: InChI=1S/C29H31N/c1-6-10-19-29(5,20-11-7-2)30(25-15-13-12-14-16-25)26-17-18-28-24(22-26)21-23(8-3)27(28)9-4/h6-8,10-20,22H,1-3,9,21H2,4-5H3/b19-10-,20-11-
• InChIKey: LKEWQXLBQHTCQU-PZRYXVKFSA-N
• XLogP: 7.97
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	393.57
LogP ≤ 5	7.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-ethyl-N-[(3Z,6Z)-5-methylnona-1,3,6,8-tetraen-5-yl]-N-phenyl-3H-inden-5-amine?

The IUPAC name of 2-ethenyl-1-ethyl-N-[(3Z,6Z)-5-methylnona-1,3,6,8-tetraen-5-yl]-N-phenyl-3H-inden-5-amine (CID 155684100) is 2-ethenyl-1-ethyl-N-[(3Z,6Z)-5-methylnona-1,3,6,8-tetraen-5-yl]-N-phenyl-3H-inden-5-amine.

What is the SMILES notation for 2-ethenyl-1-ethyl-N-[(3Z,6Z)-5-methylnona-1,3,6,8-tetraen-5-yl]-N-phenyl-3H-inden-5-amine?

The canonical SMILES for 2-ethenyl-1-ethyl-N-[(3Z,6Z)-5-methylnona-1,3,6,8-tetraen-5-yl]-N-phenyl-3H-inden-5-amine is C=C/C=C\C(C)(/C=C\C=C)N(c1ccccc1)c1ccc2c(c1)CC(C=C)=C2CC.

What is the InChIKey of 2-ethenyl-1-ethyl-N-[(3Z,6Z)-5-methylnona-1,3,6,8-tetraen-5-yl]-N-phenyl-3H-inden-5-amine?

The InChIKey is LKEWQXLBQHTCQU-PZRYXVKFSA-N. The full InChI is InChI=1S/C29H31N/c1-6-10-19-29(5,20-11-7-2)30(25-15-13-12-14-16-25)26-17-18-28-24(22-26)21-23(8-3)27(28)9-4/h6-8,10-20,22H,1-3,9,21H2,4-5H3/b19-10-,20-11-.

What are the key properties of 2-ethenyl-1-ethyl-N-[(3Z,6Z)-5-methylnona-1,3,6,8-tetraen-5-yl]-N-phenyl-3H-inden-5-amine?

2-ethenyl-1-ethyl-N-[(3Z,6Z)-5-methylnona-1,3,6,8-tetraen-5-yl]-N-phenyl-3H-inden-5-amine has a molecular weight of 393.57 g/mol, XLogP of 7.97, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethenyl-1-ethyl-N-[(3Z,6Z)-5-methylnona-1,3,6,8-tetraen-5-yl]-N-phenyl-3H-inden-5-amine is sourced from PubChem (CID 155684100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).