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

C22H30Br2Cl2N4 — CID 53360812

IUPAC(3Z)-3-(4-bromophenyl)-3-[(E)-[1-(4-bromophenyl)-3-(dimethylamino)propylidene]hydrazinylidene]-N,N-dimethylpropan-1-amine;dihydrochloride
SMILESCN(C)CC/C(=N/N=C(\CCN(C)C)c1ccc(Br)cc1)c1ccc(Br)cc1.Cl.Cl
InChIInChI=1S/C22H28Br2N4.2ClH/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;2*1H/b25-21-,26-22+;;
InChIKeyUDFQHHPDQJCGBA-KEOOFHLKSA-N
MW581.22 g/mol
LogP6.15
Rot. Bonds9

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

(3Z)-3-(4-bromophenyl)-3-[(E)-[1-(4-bromophenyl)-3-(dimethylamino)propylidene]hydrazinylidene]-N,N-dimethylpropan-1-amine;dihydrochloride (PubChem CID 53360812) has the molecular formula C22H30Br2Cl2N4 and a molecular weight of 581.22 g/mol. Its IUPAC name is (3Z)-3-(4-bromophenyl)-3-[(E)-[1-(4-bromophenyl)-3-(dimethylamino)propylidene]hydrazinylidene]-N,N-dimethylpropan-1-amine;dihydrochloride.

Molecular Properties

Compound Name(3Z)-3-(4-bromophenyl)-3-[(E)-[1-(4-bromophenyl)-3-(dimethylamino)propylidene]hydrazinylidene]-N,N-dimethylpropan-1-amine;dihydrochloride
PubChem CID53360812
Molecular FormulaC22H30Br2Cl2N4
Molecular Weight581.22 g/mol
Exact Mass578.02
IUPAC Name(3Z)-3-(4-bromophenyl)-3-[(E)-[1-(4-bromophenyl)-3-(dimethylamino)propylidene]hydrazinylidene]-N,N-dimethylpropan-1-amine;dihydrochloride
SMILESCN(C)CC/C(=N/N=C(\CCN(C)C)c1ccc(Br)cc1)c1ccc(Br)cc1.Cl.Cl
InChIInChI=1S/C22H28Br2N4.2ClH/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;2*1H/b25-21-,26-22+;;
InChIKeyUDFQHHPDQJCGBA-KEOOFHLKSA-N
XLogP6.15
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.22
LogP ≤ 56.15
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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Related Compounds

(1E,2E)-bis[1-(4-bromophenyl)ethylidene]hydrazine
CID 5512925
1,2-Bis(1-(4-bromophenyl)ethylidene)hydrazine
CID 1380472
(Z)-1-(4-bromophenyl)-N-[(Z)-1-(4-bromophenyl)ethylideneamino]ethanimine
CID 5512924
N-benzyl-1-(4-bromophenyl)-4-isocyanobutan-1-imine
CID 135072251
2,3-butanedione bis[N-(4-bromobenzal)hydrazone]
CID 139078883
1-(4-bromophenyl)-N-[2-[1-(4-bromophenyl)ethylideneamino]ethyl]ethanimine
CID 329420
(Z)-2-bromo-1-(4-bromophenyl)-N-piperidin-1-ylethanimine
CID 6390972
(1E,2E)-Bis[1-(4-bromophenyl)propylidene]hydrazine
CID 54603838
3-[(E)-1-(4-bromophenyl)ethylideneamino]isothiourea; N,N-dimethyl-1-phenyl-methanamine; gold(3+)
CID 71592464
1-(4-bromophenyl)-N-cyclohexylethanimine
CID 16080122
(4-Bromophenyl)-(1-methylpiperidin-4-yl)methanimine
CID 91473327
1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanimine
CID 140388966

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;dihydrochloride?
The IUPAC name of (3Z)-3-(4-bromophenyl)-3-[(E)-[1-(4-bromophenyl)-3-(dimethylamino)propylidene]hydrazinylidene]-N,N-dimethylpropan-1-amine;dihydrochloride (CID 53360812) is (3Z)-3-(4-bromophenyl)-3-[(E)-[1-(4-bromophenyl)-3-(dimethylamino)propylidene]hydrazinylidene]-N,N-dimethylpropan-1-amine;dihydrochloride.
What is the SMILES notation for (3Z)-3-(4-bromophenyl)-3-[(E)-[1-(4-bromophenyl)-3-(dimethylamino)propylidene]hydrazinylidene]-N,N-dimethylpropan-1-amine;dihydrochloride?
The canonical SMILES for (3Z)-3-(4-bromophenyl)-3-[(E)-[1-(4-bromophenyl)-3-(dimethylamino)propylidene]hydrazinylidene]-N,N-dimethylpropan-1-amine;dihydrochloride is CN(C)CC/C(=N/N=C(\CCN(C)C)c1ccc(Br)cc1)c1ccc(Br)cc1.Cl.Cl.
What is the InChIKey of (3Z)-3-(4-bromophenyl)-3-[(E)-[1-(4-bromophenyl)-3-(dimethylamino)propylidene]hydrazinylidene]-N,N-dimethylpropan-1-amine;dihydrochloride?
The InChIKey is UDFQHHPDQJCGBA-KEOOFHLKSA-N. The full InChI is InChI=1S/C22H28Br2N4.2ClH/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;2*1H/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;dihydrochloride?
(3Z)-3-(4-bromophenyl)-3-[(E)-[1-(4-bromophenyl)-3-(dimethylamino)propylidene]hydrazinylidene]-N,N-dimethylpropan-1-amine;dihydrochloride has a molecular weight of 581.22 g/mol, XLogP of 6.15, 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;dihydrochloride is sourced from PubChem (CID 53360812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).