N-cyclohexa-1,3-dien-1-yl-4-[(1E,3Z)-hexa-1,3-dienyl]aniline

C18H21N — CID 155274052

IUPACN-cyclohexa-1,3-dien-1-yl-4-[(1E,3Z)-hexa-1,3-dienyl]aniline
SMILESCC/C=C\C=C\c1ccc(NC2=CC=CCC2)cc1
InChIInChI=1S/C18H21N/c1-2-3-4-6-9-16-12-14-18(15-13-16)19-17-10-7-5-8-11-17/h3-7,9-10,12-15,19H,2,8,11H2,1H3/b4-3-,9-6+
InChIKeyQEIXNALLVBXYSJ-ZNUQQGBJSA-N
MW251.37 g/mol
LogP5.31
Rot. Bonds5

About N-cyclohexa-1,3-dien-1-yl-4-[(1E,3Z)-hexa-1,3-dienyl]aniline

N-cyclohexa-1,3-dien-1-yl-4-[(1E,3Z)-hexa-1,3-dienyl]aniline (PubChem CID 155274052) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-yl-4-[(1E,3Z)-hexa-1,3-dienyl]aniline.

Molecular Properties

Compound NameN-cyclohexa-1,3-dien-1-yl-4-[(1E,3Z)-hexa-1,3-dienyl]aniline
PubChem CID155274052
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC NameN-cyclohexa-1,3-dien-1-yl-4-[(1E,3Z)-hexa-1,3-dienyl]aniline
SMILESCC/C=C\C=C\c1ccc(NC2=CC=CCC2)cc1
InChIInChI=1S/C18H21N/c1-2-3-4-6-9-16-12-14-18(15-13-16)19-17-10-7-5-8-11-17/h3-7,9-10,12-15,19H,2,8,11H2,1H3/b4-3-,9-6+
InChIKeyQEIXNALLVBXYSJ-ZNUQQGBJSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.37
LogP ≤ 55.31
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 N-cyclohexa-1,3-dien-1-yl-4-[(1E,3Z)-hexa-1,3-dienyl]aniline?
The IUPAC name of N-cyclohexa-1,3-dien-1-yl-4-[(1E,3Z)-hexa-1,3-dienyl]aniline (CID 155274052) is N-cyclohexa-1,3-dien-1-yl-4-[(1E,3Z)-hexa-1,3-dienyl]aniline.
What is the SMILES notation for N-cyclohexa-1,3-dien-1-yl-4-[(1E,3Z)-hexa-1,3-dienyl]aniline?
The canonical SMILES for N-cyclohexa-1,3-dien-1-yl-4-[(1E,3Z)-hexa-1,3-dienyl]aniline is CC/C=C\C=C\c1ccc(NC2=CC=CCC2)cc1.
What is the InChIKey of N-cyclohexa-1,3-dien-1-yl-4-[(1E,3Z)-hexa-1,3-dienyl]aniline?
The InChIKey is QEIXNALLVBXYSJ-ZNUQQGBJSA-N. The full InChI is InChI=1S/C18H21N/c1-2-3-4-6-9-16-12-14-18(15-13-16)19-17-10-7-5-8-11-17/h3-7,9-10,12-15,19H,2,8,11H2,1H3/b4-3-,9-6+.
What are the key properties of N-cyclohexa-1,3-dien-1-yl-4-[(1E,3Z)-hexa-1,3-dienyl]aniline?
N-cyclohexa-1,3-dien-1-yl-4-[(1E,3Z)-hexa-1,3-dienyl]aniline has a molecular weight of 251.37 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,3-dien-1-yl-4-[(1E,3Z)-hexa-1,3-dienyl]aniline is sourced from PubChem (CID 155274052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).