(3Z)-3-(4-bromophenyl)-3-[(E)-[1-(4-bromophenyl)-3-(dimethylamino)propylidene]hydrazinylidene]-N,N-dimethylpropan-1-amine

C22H28Br2N4 — CID 53360813

IUPAC(3Z)-3-(4-bromophenyl)-3-[(E)-[1-(4-bromophenyl)-3-(dimethylamino)propylidene]hydrazinylidene]-N,N-dimethylpropan-1-amine
SMILESCN(C)CC/C(=N/N=C(\CCN(C)C)c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C22H28Br2N4/c1-27(2)15-13-21(17-5-9-19(23)10-6-17)25-26-22(14-16-28(3)4)18-7-11-20(24)12-8-18/h5-12H,13-16H2,1-4H3/b25-21-,26-22+
InChIKeyVXBWENRFEIGFGI-KOUJMYIZSA-N
MW508.30 g/mol
LogP5.31
Rot. Bonds9

About (3Z)-3-(4-bromophenyl)-3-[(E)-[1-(4-bromophenyl)-3-(dimethylamino)propylidene]hydrazinylidene]-N,N-dimethylpropan-1-amine

(3Z)-3-(4-bromophenyl)-3-[(E)-[1-(4-bromophenyl)-3-(dimethylamino)propylidene]hydrazinylidene]-N,N-dimethylpropan-1-amine (PubChem CID 53360813) has the molecular formula C22H28Br2N4 and a molecular weight of 508.30 g/mol. Its IUPAC name is (3Z)-3-(4-bromophenyl)-3-[(E)-[1-(4-bromophenyl)-3-(dimethylamino)propylidene]hydrazinylidene]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name(3Z)-3-(4-bromophenyl)-3-[(E)-[1-(4-bromophenyl)-3-(dimethylamino)propylidene]hydrazinylidene]-N,N-dimethylpropan-1-amine
PubChem CID53360813
Molecular FormulaC22H28Br2N4
Molecular Weight508.30 g/mol
Exact Mass506.07
IUPAC Name(3Z)-3-(4-bromophenyl)-3-[(E)-[1-(4-bromophenyl)-3-(dimethylamino)propylidene]hydrazinylidene]-N,N-dimethylpropan-1-amine
SMILESCN(C)CC/C(=N/N=C(\CCN(C)C)c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C22H28Br2N4/c1-27(2)15-13-21(17-5-9-19(23)10-6-17)25-26-22(14-16-28(3)4)18-7-11-20(24)12-8-18/h5-12H,13-16H2,1-4H3/b25-21-,26-22+
InChIKeyVXBWENRFEIGFGI-KOUJMYIZSA-N
XLogP5.31
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.30
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (3Z)-3-(4-bromophenyl)-3-[(E)-[1-(4-bromophenyl)-3-(dimethylamino)propylidene]hydrazinylidene]-N,N-dimethylpropan-1-amine?
The IUPAC name of (3Z)-3-(4-bromophenyl)-3-[(E)-[1-(4-bromophenyl)-3-(dimethylamino)propylidene]hydrazinylidene]-N,N-dimethylpropan-1-amine (CID 53360813) is (3Z)-3-(4-bromophenyl)-3-[(E)-[1-(4-bromophenyl)-3-(dimethylamino)propylidene]hydrazinylidene]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for (3Z)-3-(4-bromophenyl)-3-[(E)-[1-(4-bromophenyl)-3-(dimethylamino)propylidene]hydrazinylidene]-N,N-dimethylpropan-1-amine?
The canonical SMILES for (3Z)-3-(4-bromophenyl)-3-[(E)-[1-(4-bromophenyl)-3-(dimethylamino)propylidene]hydrazinylidene]-N,N-dimethylpropan-1-amine is CN(C)CC/C(=N/N=C(\CCN(C)C)c1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of (3Z)-3-(4-bromophenyl)-3-[(E)-[1-(4-bromophenyl)-3-(dimethylamino)propylidene]hydrazinylidene]-N,N-dimethylpropan-1-amine?
The InChIKey is VXBWENRFEIGFGI-KOUJMYIZSA-N. The full InChI is InChI=1S/C22H28Br2N4/c1-27(2)15-13-21(17-5-9-19(23)10-6-17)25-26-22(14-16-28(3)4)18-7-11-20(24)12-8-18/h5-12H,13-16H2,1-4H3/b25-21-,26-22+.
What are the key properties of (3Z)-3-(4-bromophenyl)-3-[(E)-[1-(4-bromophenyl)-3-(dimethylamino)propylidene]hydrazinylidene]-N,N-dimethylpropan-1-amine?
(3Z)-3-(4-bromophenyl)-3-[(E)-[1-(4-bromophenyl)-3-(dimethylamino)propylidene]hydrazinylidene]-N,N-dimethylpropan-1-amine has a molecular weight of 508.30 g/mol, XLogP of 5.31, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(4-bromophenyl)-3-[(E)-[1-(4-bromophenyl)-3-(dimethylamino)propylidene]hydrazinylidene]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 53360813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).