(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

IUPAC(2Z,6E)-N-[1-[3-(8-methyl-1,2-dihydroquinolin-6-yl)phenyl]ethenyl]-3-(2-methylphenyl)nona-2,6-dien-5-amine
SMILESC=C(NC(/C=C/CC)C/C(=C/C)c1ccccc1C)c1cccc(-c2cc(C)c3c(c2)C=CCN3)c1
InChIInChI=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-
InChIKeyRVYCIAITDCHOQJ-PDQGGVTPSA-N
MW474.69 g/mol
LogP8.80
Rot. Bonds9

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 CID155746820
Molecular FormulaC34H38N2
Molecular Weight474.69 g/mol
Exact Mass474.30
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
SMILESC=C(NC(/C=C/CC)C/C(=C/C)c1ccccc1C)c1cccc(-c2cc(C)c3c(c2)C=CCN3)c1
InChIInChI=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-
InChIKeyRVYCIAITDCHOQJ-PDQGGVTPSA-N
XLogP8.80
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.69
LogP ≤ 58.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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).