2,4-dibromo-N-(cyclohexylideneamino)aniline

C12H14Br2N2 — CID 121012278

IUPAC2,4-dibromo-N-(cyclohexylideneamino)aniline
SMILESBrc1ccc(NN=C2CCCCC2)c(Br)c1
InChIInChI=1S/C12H14Br2N2/c13-9-6-7-12(11(14)8-9)16-15-10-4-2-1-3-5-10/h6-8,16H,1-5H2
InChIKeyXHDBNERJRNMWFU-UHFFFAOYSA-N
MW346.07 g/mol
LogP4.94
Rot. Bonds2

About 2,4-dibromo-N-(cyclohexylideneamino)aniline

2,4-dibromo-N-(cyclohexylideneamino)aniline (PubChem CID 121012278) has the molecular formula C12H14Br2N2 and a molecular weight of 346.07 g/mol. Its IUPAC name is 2,4-dibromo-N-(cyclohexylideneamino)aniline.

Molecular Properties

Compound Name2,4-dibromo-N-(cyclohexylideneamino)aniline
PubChem CID121012278
Molecular FormulaC12H14Br2N2
Molecular Weight346.07 g/mol
Exact Mass343.95
IUPAC Name2,4-dibromo-N-(cyclohexylideneamino)aniline
SMILESBrc1ccc(NN=C2CCCCC2)c(Br)c1
InChIInChI=1S/C12H14Br2N2/c13-9-6-7-12(11(14)8-9)16-15-10-4-2-1-3-5-10/h6-8,16H,1-5H2
InChIKeyXHDBNERJRNMWFU-UHFFFAOYSA-N
XLogP4.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.07
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(cyclohexylideneamino)aniline?
The IUPAC name of 2,4-dibromo-N-(cyclohexylideneamino)aniline (CID 121012278) is 2,4-dibromo-N-(cyclohexylideneamino)aniline.
What is the SMILES notation for 2,4-dibromo-N-(cyclohexylideneamino)aniline?
The canonical SMILES for 2,4-dibromo-N-(cyclohexylideneamino)aniline is Brc1ccc(NN=C2CCCCC2)c(Br)c1.
What is the InChIKey of 2,4-dibromo-N-(cyclohexylideneamino)aniline?
The InChIKey is XHDBNERJRNMWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2N2/c13-9-6-7-12(11(14)8-9)16-15-10-4-2-1-3-5-10/h6-8,16H,1-5H2.
What are the key properties of 2,4-dibromo-N-(cyclohexylideneamino)aniline?
2,4-dibromo-N-(cyclohexylideneamino)aniline has a molecular weight of 346.07 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(cyclohexylideneamino)aniline is sourced from PubChem (CID 121012278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).