4-methyl-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-N-(4-methylphenyl)aniline

C22H25N — CID 88960776

IUPAC4-methyl-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-N-(4-methylphenyl)aniline
SMILESC/C=C(\C=C/C(=C)C)/N(C1=CC=C(C=C1)C)C2=CC=C(C=C2)C
InChIInChI=1S/C22H25N/c1-6-20(12-7-17(2)3)23(21-13-8-18(4)9-14-21)22-15-10-19(5)11-16-22/h6-16H,2H2,1,3-5H3/b12-7-,20-6+
InChIKeyLSVZNQIGBMOYIR-GNJQMCHPSA-N
MW303.40 g/mol
LogP7.10
Rot. Bonds5

About 4-methyl-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-N-(4-methylphenyl)aniline

4-methyl-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-N-(4-methylphenyl)aniline (PubChem CID 88960776) has the molecular formula C22H25N and a molecular weight of 303.40 g/mol. Its IUPAC name is 4-methyl-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-N-(4-methylphenyl)aniline.

Molecular Properties

Compound Name4-methyl-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-N-(4-methylphenyl)aniline
PubChem CID88960776
Molecular FormulaC22H25N
Molecular Weight303.40 g/mol
Exact Mass303.20
IUPAC Name4-methyl-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-N-(4-methylphenyl)aniline
SMILESC/C=C(\C=C/C(=C)C)/N(C1=CC=C(C=C1)C)C2=CC=C(C=C2)C
InChIInChI=1S/C22H25N/c1-6-20(12-7-17(2)3)23(21-13-8-18(4)9-14-21)22-15-10-19(5)11-16-22/h6-16H,2H2,1,3-5H3/b12-7-,20-6+
InChIKeyLSVZNQIGBMOYIR-GNJQMCHPSA-N
XLogP7.10
TPSA3.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity407

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.40
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 11057
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Malachite Green
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Trimipramine
CID 5584
Leucomalachite green
CID 67215
Imipramine Hydrochloride
CID 8228
Bis(p-(dimethylamino)phenyl)methane
CID 7567
Bamipine
CID 72075
Leucocrystal Violet
CID 69048
Dibenz(b,f)azepine
CID 9212
Solvent Yellow 34
CID 10298

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-N-(4-methylphenyl)aniline?
The IUPAC name of 4-methyl-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-N-(4-methylphenyl)aniline (CID 88960776) is 4-methyl-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-N-(4-methylphenyl)aniline.
What is the SMILES notation for 4-methyl-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-N-(4-methylphenyl)aniline?
The canonical SMILES for 4-methyl-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-N-(4-methylphenyl)aniline is C/C=C(\C=C/C(=C)C)/N(C1=CC=C(C=C1)C)C2=CC=C(C=C2)C.
What is the InChIKey of 4-methyl-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-N-(4-methylphenyl)aniline?
The InChIKey is LSVZNQIGBMOYIR-GNJQMCHPSA-N. The full InChI is InChI=1S/C22H25N/c1-6-20(12-7-17(2)3)23(21-13-8-18(4)9-14-21)22-15-10-19(5)11-16-22/h6-16H,2H2,1,3-5H3/b12-7-,20-6+.
What are the key properties of 4-methyl-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-N-(4-methylphenyl)aniline?
4-methyl-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-N-(4-methylphenyl)aniline has a molecular weight of 303.40 g/mol, XLogP of 7.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-N-(4-methylphenyl)aniline is sourced from PubChem (CID 88960776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).