4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]-N,N-dimethylnaphthalen-1-amine

C28H36N2 — CID 20673951

IUPAC4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]-N,N-dimethylnaphthalen-1-amine
SMILESCCCCN(CCCC)c1ccc(/C=C/c2ccc(N(C)C)c3ccccc23)cc1
InChIInChI=1S/C28H36N2/c1-5-7-21-30(22-8-6-2)25-18-14-23(15-19-25)13-16-24-17-20-28(29(3)4)27-12-10-9-11-26(24)27/h9-20H,5-8,21-22H2,1-4H3/b16-13+
InChIKeyDFKGERHNXCVGPT-DTQAZKPQSA-N
MW400.61 g/mol
LogP7.48
Rot. Bonds10

About 4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]-N,N-dimethylnaphthalen-1-amine

4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]-N,N-dimethylnaphthalen-1-amine (PubChem CID 20673951) has the molecular formula C28H36N2 and a molecular weight of 400.61 g/mol. Its IUPAC name is 4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]-N,N-dimethylnaphthalen-1-amine.

Molecular Properties

Compound Name4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]-N,N-dimethylnaphthalen-1-amine
PubChem CID20673951
Molecular FormulaC28H36N2
Molecular Weight400.61 g/mol
Exact Mass400.29
IUPAC Name4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]-N,N-dimethylnaphthalen-1-amine
SMILESCCCCN(CCCC)c1ccc(/C=C/c2ccc(N(C)C)c3ccccc23)cc1
InChIInChI=1S/C28H36N2/c1-5-7-21-30(22-8-6-2)25-18-14-23(15-19-25)13-16-24-17-20-28(29(3)4)27-12-10-9-11-26(24)27/h9-20H,5-8,21-22H2,1-4H3/b16-13+
InChIKeyDFKGERHNXCVGPT-DTQAZKPQSA-N
XLogP7.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.61
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]-N,N-dimethylnaphthalen-1-amine?
The IUPAC name of 4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]-N,N-dimethylnaphthalen-1-amine (CID 20673951) is 4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]-N,N-dimethylnaphthalen-1-amine.
What is the SMILES notation for 4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]-N,N-dimethylnaphthalen-1-amine?
The canonical SMILES for 4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]-N,N-dimethylnaphthalen-1-amine is CCCCN(CCCC)c1ccc(/C=C/c2ccc(N(C)C)c3ccccc23)cc1.
What is the InChIKey of 4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]-N,N-dimethylnaphthalen-1-amine?
The InChIKey is DFKGERHNXCVGPT-DTQAZKPQSA-N. The full InChI is InChI=1S/C28H36N2/c1-5-7-21-30(22-8-6-2)25-18-14-23(15-19-25)13-16-24-17-20-28(29(3)4)27-12-10-9-11-26(24)27/h9-20H,5-8,21-22H2,1-4H3/b16-13+.
What are the key properties of 4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]-N,N-dimethylnaphthalen-1-amine?
4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]-N,N-dimethylnaphthalen-1-amine has a molecular weight of 400.61 g/mol, XLogP of 7.48, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]-N,N-dimethylnaphthalen-1-amine is sourced from PubChem (CID 20673951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).