3-bromo-N-[[3-[(3-bromophenyl)hydrazinylidene]cyclohexylidene]amino]aniline

C18H18Br2N4 — CID 123597481

IUPAC3-bromo-N-[[3-[(3-bromophenyl)hydrazinylidene]cyclohexylidene]amino]aniline
SMILESBrc1cccc(NN=C2CCCC(=NNc3cccc(Br)c3)C2)c1
InChIInChI=1S/C18H18Br2N4/c19-13-4-1-6-15(10-13)21-23-17-8-3-9-18(12-17)24-22-16-7-2-5-14(20)11-16/h1-2,4-7,10-11,21-22H,3,8-9,12H2
InChIKeyRQPOBZLCNCRVHK-UHFFFAOYSA-N
MW450.18 g/mol
LogP6.02
Rot. Bonds4

About 3-bromo-N-[[3-[(3-bromophenyl)hydrazinylidene]cyclohexylidene]amino]aniline

3-bromo-N-[[3-[(3-bromophenyl)hydrazinylidene]cyclohexylidene]amino]aniline (PubChem CID 123597481) has the molecular formula C18H18Br2N4 and a molecular weight of 450.18 g/mol. Its IUPAC name is 3-bromo-N-[[3-[(3-bromophenyl)hydrazinylidene]cyclohexylidene]amino]aniline.

Molecular Properties

Compound Name3-bromo-N-[[3-[(3-bromophenyl)hydrazinylidene]cyclohexylidene]amino]aniline
PubChem CID123597481
Molecular FormulaC18H18Br2N4
Molecular Weight450.18 g/mol
Exact Mass447.99
IUPAC Name3-bromo-N-[[3-[(3-bromophenyl)hydrazinylidene]cyclohexylidene]amino]aniline
SMILESBrc1cccc(NN=C2CCCC(=NNc3cccc(Br)c3)C2)c1
InChIInChI=1S/C18H18Br2N4/c19-13-4-1-6-15(10-13)21-23-17-8-3-9-18(12-17)24-22-16-7-2-5-14(20)11-16/h1-2,4-7,10-11,21-22H,3,8-9,12H2
InChIKeyRQPOBZLCNCRVHK-UHFFFAOYSA-N
XLogP6.02
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.18
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_zone(1)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(4-bromophenyl)hydrazinylidene]cyclohexan-1-one
CID 56623987
3-bromo-N-propan-2-ylaniline
CID 23291934
trans-(1R,2R)-1-N,2-N-bis(3-bromophenyl)cyclohexane-1,2-diamine
CID 12024701
3-bromo-N-phenylaniline
CID 14958606
4-(phenylhydrazinylidene)piperidin-2-one
CID 57000459
1,3-dibromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 54590075
3-bromo-N-[(3-bromophenyl)sulfamoyl]aniline
CID 132513071
4-bromo-2-[(E)-[(3-bromophenyl)hydrazinylidene]methyl]-6-iodophenol
CID 135533846
2-(3-bromoanilino)cyclohexan-1-ol
CID 60884414
1,2-bis(3-bromophenyl)guanidine
CID 46189840
trans-(1R,2R)-2-(3-bromoanilino)cyclopentan-1-ol
CID 102733003
3-bromo-N-(oxolan-2-ylmethyl)aniline
CID 43179930

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[3-[(3-bromophenyl)hydrazinylidene]cyclohexylidene]amino]aniline?
The IUPAC name of 3-bromo-N-[[3-[(3-bromophenyl)hydrazinylidene]cyclohexylidene]amino]aniline (CID 123597481) is 3-bromo-N-[[3-[(3-bromophenyl)hydrazinylidene]cyclohexylidene]amino]aniline.
What is the SMILES notation for 3-bromo-N-[[3-[(3-bromophenyl)hydrazinylidene]cyclohexylidene]amino]aniline?
The canonical SMILES for 3-bromo-N-[[3-[(3-bromophenyl)hydrazinylidene]cyclohexylidene]amino]aniline is Brc1cccc(NN=C2CCCC(=NNc3cccc(Br)c3)C2)c1.
What is the InChIKey of 3-bromo-N-[[3-[(3-bromophenyl)hydrazinylidene]cyclohexylidene]amino]aniline?
The InChIKey is RQPOBZLCNCRVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Br2N4/c19-13-4-1-6-15(10-13)21-23-17-8-3-9-18(12-17)24-22-16-7-2-5-14(20)11-16/h1-2,4-7,10-11,21-22H,3,8-9,12H2.
What are the key properties of 3-bromo-N-[[3-[(3-bromophenyl)hydrazinylidene]cyclohexylidene]amino]aniline?
3-bromo-N-[[3-[(3-bromophenyl)hydrazinylidene]cyclohexylidene]amino]aniline has a molecular weight of 450.18 g/mol, XLogP of 6.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[[3-[(3-bromophenyl)hydrazinylidene]cyclohexylidene]amino]aniline is sourced from PubChem (CID 123597481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).