4-cyclohexa-1,5-dien-1-yl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]aniline

C19H21N — CID 142340608

IUPAC4-cyclohexa-1,5-dien-1-yl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]aniline
SMILESC=C/C=C(\C=C/C)Nc1ccc(C2=CCCC=C2)cc1
InChIInChI=1S/C19H21N/c1-3-8-18(9-4-2)20-19-14-12-17(13-15-19)16-10-6-5-7-11-16/h3-4,6,8-15,20H,1,5,7H2,2H3/b9-4-,18-8+
InChIKeyNWSSXNMUEJYCGD-ZFHQFQHJSA-N
MW263.38 g/mol
LogP5.48
Rot. Bonds5

About 4-cyclohexa-1,5-dien-1-yl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]aniline

4-cyclohexa-1,5-dien-1-yl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]aniline (PubChem CID 142340608) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-cyclohexa-1,5-dien-1-yl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]aniline.

Molecular Properties

Compound Name4-cyclohexa-1,5-dien-1-yl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]aniline
PubChem CID142340608
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name4-cyclohexa-1,5-dien-1-yl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]aniline
SMILESC=C/C=C(\C=C/C)Nc1ccc(C2=CCCC=C2)cc1
InChIInChI=1S/C19H21N/c1-3-8-18(9-4-2)20-19-14-12-17(13-15-19)16-10-6-5-7-11-16/h3-4,6,8-15,20H,1,5,7H2,2H3/b9-4-,18-8+
InChIKeyNWSSXNMUEJYCGD-ZFHQFQHJSA-N
XLogP5.48
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 ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,5-dien-1-yl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]aniline?
The IUPAC name of 4-cyclohexa-1,5-dien-1-yl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]aniline (CID 142340608) is 4-cyclohexa-1,5-dien-1-yl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]aniline.
What is the SMILES notation for 4-cyclohexa-1,5-dien-1-yl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]aniline?
The canonical SMILES for 4-cyclohexa-1,5-dien-1-yl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]aniline is C=C/C=C(\C=C/C)Nc1ccc(C2=CCCC=C2)cc1.
What is the InChIKey of 4-cyclohexa-1,5-dien-1-yl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]aniline?
The InChIKey is NWSSXNMUEJYCGD-ZFHQFQHJSA-N. The full InChI is InChI=1S/C19H21N/c1-3-8-18(9-4-2)20-19-14-12-17(13-15-19)16-10-6-5-7-11-16/h3-4,6,8-15,20H,1,5,7H2,2H3/b9-4-,18-8+.
What are the key properties of 4-cyclohexa-1,5-dien-1-yl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]aniline?
4-cyclohexa-1,5-dien-1-yl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]aniline has a molecular weight of 263.38 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,5-dien-1-yl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]aniline is sourced from PubChem (CID 142340608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).