(2Z,6E)-N-[1-[3-(8-methyl-1,2-dihydroquinolin-6-yl)phenyl]ethenyl]-3-(2-methylphenyl)nona-2,6-dien-5-amine

C₃₄H₃₈N₂ — CID 155746820

About (2Z,6E)-N-[1-[3-(8-methyl-1,2-dihydroquinolin-6-yl)phenyl]ethenyl]-3-(2-methylphenyl)nona-2,6-dien-5-amine

(2Z,6E)-N-[1-[3-(8-methyl-1,2-dihydroquinolin-6-yl)phenyl]ethenyl]-3-(2-methylphenyl)nona-2,6-dien-5-amine (PubChem CID 155746820) has the molecular formula C₃₄H₃₈N₂ and a molecular weight of 474.69 g/mol. Its IUPAC name is (2Z,6E)-N-[1-[3-(8-methyl-1,2-dihydroquinolin-6-yl)phenyl]ethenyl]-3-(2-methylphenyl)nona-2,6-dien-5-amine.

Molecular Properties

• Compound Name: (2Z,6E)-N-[1-[3-(8-methyl-1,2-dihydroquinolin-6-yl)phenyl]ethenyl]-3-(2-methylphenyl)nona-2,6-dien-5-amine
• PubChem CID: 155746820
• Molecular Formula: C₃₄H₃₈N₂
• Molecular Weight: 474.69 g/mol
• Exact Mass: 474.30
• IUPAC Name: (2Z,6E)-N-[1-[3-(8-methyl-1,2-dihydroquinolin-6-yl)phenyl]ethenyl]-3-(2-methylphenyl)nona-2,6-dien-5-amine
• SMILES: C=C(NC(/C=C/CC)C/C(=C/C)c1ccccc1C)c1cccc(-c2cc(C)c3c(c2)C=CCN3)c1
• InChI: InChI=1S/C34H38N2/c1-6-8-17-32(23-27(7-2)33-18-10-9-13-24(33)3)36-26(5)28-14-11-15-29(21-28)31-20-25(4)34-30(22-31)16-12-19-35-34/h7-18,20-22,32,35-36H,5-6,19,23H2,1-4H3/b17-8+,27-7-
• InChIKey: RVYCIAITDCHOQJ-PDQGGVTPSA-N
• XLogP: 8.80
• TPSA: 24.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.69
LogP ≤ 5	8.80
H-Bond Donors ≤ 5	2
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 (2Z,6E)-N-[1-[3-(8-methyl-1,2-dihydroquinolin-6-yl)phenyl]ethenyl]-3-(2-methylphenyl)nona-2,6-dien-5-amine?

The IUPAC name of (2Z,6E)-N-[1-[3-(8-methyl-1,2-dihydroquinolin-6-yl)phenyl]ethenyl]-3-(2-methylphenyl)nona-2,6-dien-5-amine (CID 155746820) is (2Z,6E)-N-[1-[3-(8-methyl-1,2-dihydroquinolin-6-yl)phenyl]ethenyl]-3-(2-methylphenyl)nona-2,6-dien-5-amine.

What is the SMILES notation for (2Z,6E)-N-[1-[3-(8-methyl-1,2-dihydroquinolin-6-yl)phenyl]ethenyl]-3-(2-methylphenyl)nona-2,6-dien-5-amine?

The canonical SMILES for (2Z,6E)-N-[1-[3-(8-methyl-1,2-dihydroquinolin-6-yl)phenyl]ethenyl]-3-(2-methylphenyl)nona-2,6-dien-5-amine is C=C(NC(/C=C/CC)C/C(=C/C)c1ccccc1C)c1cccc(-c2cc(C)c3c(c2)C=CCN3)c1.

What is the InChIKey of (2Z,6E)-N-[1-[3-(8-methyl-1,2-dihydroquinolin-6-yl)phenyl]ethenyl]-3-(2-methylphenyl)nona-2,6-dien-5-amine?

The InChIKey is RVYCIAITDCHOQJ-PDQGGVTPSA-N. The full InChI is InChI=1S/C34H38N2/c1-6-8-17-32(23-27(7-2)33-18-10-9-13-24(33)3)36-26(5)28-14-11-15-29(21-28)31-20-25(4)34-30(22-31)16-12-19-35-34/h7-18,20-22,32,35-36H,5-6,19,23H2,1-4H3/b17-8+,27-7-.

What are the key properties of (2Z,6E)-N-[1-[3-(8-methyl-1,2-dihydroquinolin-6-yl)phenyl]ethenyl]-3-(2-methylphenyl)nona-2,6-dien-5-amine?

(2Z,6E)-N-[1-[3-(8-methyl-1,2-dihydroquinolin-6-yl)phenyl]ethenyl]-3-(2-methylphenyl)nona-2,6-dien-5-amine has a molecular weight of 474.69 g/mol, XLogP of 8.80, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,6E)-N-[1-[3-(8-methyl-1,2-dihydroquinolin-6-yl)phenyl]ethenyl]-3-(2-methylphenyl)nona-2,6-dien-5-amine is sourced from PubChem (CID 155746820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155746820 — identifiers, structure, computed properties (public domain)

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