(2E,4Z,6E,8Z)-9-methyl-1-(4-methylphenyl)-3-phenylundeca-2,4,6,8,10-pentaen-5-amine

C25H27N — CID 143239983

IUPAC(2E,4Z,6E,8Z)-9-methyl-1-(4-methylphenyl)-3-phenylundeca-2,4,6,8,10-pentaen-5-amine
SMILESC=C/C(C)=C\C=C\C(N)=C\C(=C/Cc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C25H27N/c1-4-20(2)9-8-12-25(26)19-24(23-10-6-5-7-11-23)18-17-22-15-13-21(3)14-16-22/h4-16,18-19H,1,17,26H2,2-3H3/b12-8+,20-9-,24-18+,25-19-
InChIKeyRNOXDKRIMKDULP-CODIFIRQSA-N
MW341.50 g/mol
LogP6.15
Rot. Bonds7

About (2E,4Z,6E,8Z)-9-methyl-1-(4-methylphenyl)-3-phenylundeca-2,4,6,8,10-pentaen-5-amine

(2E,4Z,6E,8Z)-9-methyl-1-(4-methylphenyl)-3-phenylundeca-2,4,6,8,10-pentaen-5-amine (PubChem CID 143239983) has the molecular formula C25H27N and a molecular weight of 341.50 g/mol. Its IUPAC name is (2E,4Z,6E,8Z)-9-methyl-1-(4-methylphenyl)-3-phenylundeca-2,4,6,8,10-pentaen-5-amine.

Molecular Properties

Compound Name(2E,4Z,6E,8Z)-9-methyl-1-(4-methylphenyl)-3-phenylundeca-2,4,6,8,10-pentaen-5-amine
PubChem CID143239983
Molecular FormulaC25H27N
Molecular Weight341.50 g/mol
Exact Mass341.21
IUPAC Name(2E,4Z,6E,8Z)-9-methyl-1-(4-methylphenyl)-3-phenylundeca-2,4,6,8,10-pentaen-5-amine
SMILESC=C/C(C)=C\C=C\C(N)=C\C(=C/Cc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C25H27N/c1-4-20(2)9-8-12-25(26)19-24(23-10-6-5-7-11-23)18-17-22-15-13-21(3)14-16-22/h4-16,18-19H,1,17,26H2,2-3H3/b12-8+,20-9-,24-18+,25-19-
InChIKeyRNOXDKRIMKDULP-CODIFIRQSA-N
XLogP6.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4Z,6E,8Z)-9-methyl-1-(4-methylphenyl)-3-phenylundeca-2,4,6,8,10-pentaen-5-amine with MolForge

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Related Compounds

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CID 101147741
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CID 143258113
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Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6E,8Z)-9-methyl-1-(4-methylphenyl)-3-phenylundeca-2,4,6,8,10-pentaen-5-amine?
The IUPAC name of (2E,4Z,6E,8Z)-9-methyl-1-(4-methylphenyl)-3-phenylundeca-2,4,6,8,10-pentaen-5-amine (CID 143239983) is (2E,4Z,6E,8Z)-9-methyl-1-(4-methylphenyl)-3-phenylundeca-2,4,6,8,10-pentaen-5-amine.
What is the SMILES notation for (2E,4Z,6E,8Z)-9-methyl-1-(4-methylphenyl)-3-phenylundeca-2,4,6,8,10-pentaen-5-amine?
The canonical SMILES for (2E,4Z,6E,8Z)-9-methyl-1-(4-methylphenyl)-3-phenylundeca-2,4,6,8,10-pentaen-5-amine is C=C/C(C)=C\C=C\C(N)=C\C(=C/Cc1ccc(C)cc1)c1ccccc1.
What is the InChIKey of (2E,4Z,6E,8Z)-9-methyl-1-(4-methylphenyl)-3-phenylundeca-2,4,6,8,10-pentaen-5-amine?
The InChIKey is RNOXDKRIMKDULP-CODIFIRQSA-N. The full InChI is InChI=1S/C25H27N/c1-4-20(2)9-8-12-25(26)19-24(23-10-6-5-7-11-23)18-17-22-15-13-21(3)14-16-22/h4-16,18-19H,1,17,26H2,2-3H3/b12-8+,20-9-,24-18+,25-19-.
What are the key properties of (2E,4Z,6E,8Z)-9-methyl-1-(4-methylphenyl)-3-phenylundeca-2,4,6,8,10-pentaen-5-amine?
(2E,4Z,6E,8Z)-9-methyl-1-(4-methylphenyl)-3-phenylundeca-2,4,6,8,10-pentaen-5-amine has a molecular weight of 341.50 g/mol, XLogP of 6.15, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6E,8Z)-9-methyl-1-(4-methylphenyl)-3-phenylundeca-2,4,6,8,10-pentaen-5-amine is sourced from PubChem (CID 143239983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).