N,N'-bis[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-N,N'-dimethylethane-1,2-diamine

C22H24Br2N4 — CID 92842583

IUPACN,N'-bis[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-N,N'-dimethylethane-1,2-diamine
SMILESCN(CCN(C)/N=C\C(Br)=C/c1ccccc1)/N=C\C(Br)=C/c1ccccc1
InChIInChI=1S/C22H24Br2N4/c1-27(25-17-21(23)15-19-9-5-3-6-10-19)13-14-28(2)26-18-22(24)16-20-11-7-4-8-12-20/h3-12,15-18H,13-14H2,1-2H3/b21-15+,22-16+,25-17-,26-18-
InChIKeyVMAPIJPUAVPTJE-GGQGVTHUSA-N
MW504.27 g/mol
LogP5.69
Rot. Bonds9

About N,N'-bis[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-N,N'-dimethylethane-1,2-diamine

N,N'-bis[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-N,N'-dimethylethane-1,2-diamine (PubChem CID 92842583) has the molecular formula C22H24Br2N4 and a molecular weight of 504.27 g/mol. Its IUPAC name is N,N'-bis[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-N,N'-dimethylethane-1,2-diamine
PubChem CID92842583
Molecular FormulaC22H24Br2N4
Molecular Weight504.27 g/mol
Exact Mass502.04
IUPAC NameN,N'-bis[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-N,N'-dimethylethane-1,2-diamine
SMILESCN(CCN(C)/N=C\C(Br)=C/c1ccccc1)/N=C\C(Br)=C/c1ccccc1
InChIInChI=1S/C22H24Br2N4/c1-27(25-17-21(23)15-19-9-5-3-6-10-19)13-14-28(2)26-18-22(24)16-20-11-7-4-8-12-20/h3-12,15-18H,13-14H2,1-2H3/b21-15+,22-16+,25-17-,26-18-
InChIKeyVMAPIJPUAVPTJE-GGQGVTHUSA-N
XLogP5.69
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.27
LogP ≤ 55.69
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

N-[(E)-1-bromo-2-phenylethenyl]-N-methylaniline
CID 132574218
(E,E)-2-bromo-N-(4-methylpiperazin-1-yl)-3-phenylprop-2-en-1-imine
CID 5342562
2-[(2-bromo-3-phenylprop-2-enylidene)amino]guanidine
CID 2858290
(E)-2-bromo-3-phenyl-N-(4-phenylphenyl)prop-2-en-1-imine
CID 21177366
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-4-(diethylamino)benzamide
CID 6902093
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-phenylacetamide
CID 5407602
[(E)-2-bromobut-1-enyl]benzene
CID 15418577
2,2-dibromo(113C)ethenylbenzene
CID 131856077
N-(1,2-diphenylethenyl)-N-methylaniline
CID 76766210
1-[3-[[(E)-2-bromo-3-phenylprop-2-enylidene]amino]phenyl]ethanone
CID 21177369
(E,Z)-N-(4-benzylpiperazin-4-ium-1-yl)-2-bromo-3-phenylprop-2-en-1-imine
CID 6879956
3-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 18291300

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N,N'-bis[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-N,N'-dimethylethane-1,2-diamine (CID 92842583) is N,N'-bis[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N,N'-bis[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N,N'-bis[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-N,N'-dimethylethane-1,2-diamine is CN(CCN(C)/N=C\C(Br)=C/c1ccccc1)/N=C\C(Br)=C/c1ccccc1.
What is the InChIKey of N,N'-bis[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is VMAPIJPUAVPTJE-GGQGVTHUSA-N. The full InChI is InChI=1S/C22H24Br2N4/c1-27(25-17-21(23)15-19-9-5-3-6-10-19)13-14-28(2)26-18-22(24)16-20-11-7-4-8-12-20/h3-12,15-18H,13-14H2,1-2H3/b21-15+,22-16+,25-17-,26-18-.
What are the key properties of N,N'-bis[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-N,N'-dimethylethane-1,2-diamine?
N,N'-bis[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 504.27 g/mol, XLogP of 5.69, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 92842583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).