N-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylaniline

C19H21N — CID 142358988

IUPACN-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylaniline
SMILESC/C=C(\C=C/CC)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H21N/c1-3-5-11-18(4-2)20-19-14-12-17(13-15-19)16-9-7-6-8-10-16/h4-15,20H,3H2,1-2H3/b11-5-,18-4+
InChIKeyXWPCOTFWTJDGME-HTMOVGKDSA-N
MW263.38 g/mol
LogP5.64
Rot. Bonds5

About N-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylaniline

N-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylaniline (PubChem CID 142358988) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylaniline.

Molecular Properties

Compound NameN-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylaniline
PubChem CID142358988
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC NameN-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylaniline
SMILESC/C=C(\C=C/CC)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H21N/c1-3-5-11-18(4-2)20-19-14-12-17(13-15-19)16-9-7-6-8-10-16/h4-15,20H,3H2,1-2H3/b11-5-,18-4+
InChIKeyXWPCOTFWTJDGME-HTMOVGKDSA-N
XLogP5.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.38
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-dibenzothiophen-2-yl-N-[(2E,4Z)-hepta-2,4-dien-3-yl]aniline
CID 166879246
[(1Z,3E)-2-anilinohexa-1,3-dienyl]-triphenylphosphanium
CID 101071939
ethane;1-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylbenzene
CID 165141604
N-[(3Z)-penta-1,3-dien-2-yl]-4-phenylaniline
CID 144591931
ethane;(2E,4Z)-N-(3-phenylprop-1-en-2-yl)hepta-2,4-dien-3-amine
CID 142957611
1-ethyl-1-methyl-3-(4-phenylphenyl)urea
CID 115603727
(Z)-N-methyl-1-(4-phenylphenyl)pent-2-en-1-imine
CID 142417690
N-(4-phenylphenyl)acetamide
CID 19998
1-[3-(3,5-diphenylphenyl)-5-(4-methylphenyl)phenyl]-3-hepta-2,4-dien-3-yl-5-phenylbenzene
CID 123950143
2-ethyl-N-(4-phenylphenyl)non-7-enamide
CID 150409330
N-[1-(ethylideneamino)ethenyl]-4-(4-phenylphenyl)aniline
CID 174040434
2-(aminomethyl)-N-(4-phenylphenyl)butanamide
CID 62254928

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylaniline?
The IUPAC name of N-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylaniline (CID 142358988) is N-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylaniline.
What is the SMILES notation for N-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylaniline?
The canonical SMILES for N-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylaniline is C/C=C(\C=C/CC)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylaniline?
The InChIKey is XWPCOTFWTJDGME-HTMOVGKDSA-N. The full InChI is InChI=1S/C19H21N/c1-3-5-11-18(4-2)20-19-14-12-17(13-15-19)16-9-7-6-8-10-16/h4-15,20H,3H2,1-2H3/b11-5-,18-4+.
What are the key properties of N-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylaniline?
N-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylaniline has a molecular weight of 263.38 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylaniline is sourced from PubChem (CID 142358988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).