2-[(1Z,4E)-5-naphthalen-1-ylpenta-1,4-dienyl]aniline

C21H19N — CID 101480114

IUPAC2-[(1Z,4E)-5-naphthalen-1-ylpenta-1,4-dienyl]aniline
SMILESNc1ccccc1/C=C\C/C=C/c1cccc2ccccc12
InChIInChI=1S/C21H19N/c22-21-16-7-5-12-19(21)11-3-1-2-9-17-13-8-14-18-10-4-6-15-20(17)18/h2-16H,1,22H2/b9-2+,11-3-
InChIKeyURZCZMABQQQCOT-UIGZESAKSA-N
MW285.39 g/mol
LogP5.54
Rot. Bonds4

About 2-[(1Z,4E)-5-naphthalen-1-ylpenta-1,4-dienyl]aniline

2-[(1Z,4E)-5-naphthalen-1-ylpenta-1,4-dienyl]aniline (PubChem CID 101480114) has the molecular formula C21H19N and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[(1Z,4E)-5-naphthalen-1-ylpenta-1,4-dienyl]aniline.

Molecular Properties

Compound Name2-[(1Z,4E)-5-naphthalen-1-ylpenta-1,4-dienyl]aniline
PubChem CID101480114
Molecular FormulaC21H19N
Molecular Weight285.39 g/mol
Exact Mass285.15
IUPAC Name2-[(1Z,4E)-5-naphthalen-1-ylpenta-1,4-dienyl]aniline
SMILESNc1ccccc1/C=C\C/C=C/c1cccc2ccccc12
InChIInChI=1S/C21H19N/c22-21-16-7-5-12-19(21)11-3-1-2-9-17-13-8-14-18-10-4-6-15-20(17)18/h2-16H,1,22H2/b9-2+,11-3-
InChIKeyURZCZMABQQQCOT-UIGZESAKSA-N
XLogP5.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.39
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-naphthalen-1-ylethenamine
CID 69243468
2-[(E)-2-anthracen-1-ylethenyl]aniline
CID 87879813
2-(3-aminoprop-1-enyl)aniline
CID 67152713
2-(2-naphthalen-1-ylethenyl)pyridin-3-amine
CID 141379891
1-[2-[2,4,5-tris(2-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene
CID 139835020
1-(2-bromoethenyl)naphthalene
CID 71403351
(E)-4-(2-aminophenyl)but-3-enoic acid
CID 50852404
1-pent-1-en-4-ynylnaphthalene
CID 175469906
1-[(E)-2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]ethenyl]naphthalene
CID 139196261
CID 135259743
CID 135259743
1-[(Z)-6-chlorohex-1-enyl]naphthalene
CID 11842886
CID 140618692
CID 140618692

Frequently Asked Questions

What is the IUPAC name of 2-[(1Z,4E)-5-naphthalen-1-ylpenta-1,4-dienyl]aniline?
The IUPAC name of 2-[(1Z,4E)-5-naphthalen-1-ylpenta-1,4-dienyl]aniline (CID 101480114) is 2-[(1Z,4E)-5-naphthalen-1-ylpenta-1,4-dienyl]aniline.
What is the SMILES notation for 2-[(1Z,4E)-5-naphthalen-1-ylpenta-1,4-dienyl]aniline?
The canonical SMILES for 2-[(1Z,4E)-5-naphthalen-1-ylpenta-1,4-dienyl]aniline is Nc1ccccc1/C=C\C/C=C/c1cccc2ccccc12.
What is the InChIKey of 2-[(1Z,4E)-5-naphthalen-1-ylpenta-1,4-dienyl]aniline?
The InChIKey is URZCZMABQQQCOT-UIGZESAKSA-N. The full InChI is InChI=1S/C21H19N/c22-21-16-7-5-12-19(21)11-3-1-2-9-17-13-8-14-18-10-4-6-15-20(17)18/h2-16H,1,22H2/b9-2+,11-3-.
What are the key properties of 2-[(1Z,4E)-5-naphthalen-1-ylpenta-1,4-dienyl]aniline?
2-[(1Z,4E)-5-naphthalen-1-ylpenta-1,4-dienyl]aniline has a molecular weight of 285.39 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1Z,4E)-5-naphthalen-1-ylpenta-1,4-dienyl]aniline is sourced from PubChem (CID 101480114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).