[(Z)-2-[[(2E)-2-[[4-[(2,4-dihydroxyphenyl)methylamino]phenyl]-methylhydrazinylidene]propyl]-methylamino]ethenyl]-methylazanium

C21H30N5O2+ — CID 143565701

IUPAC[(Z)-2-[[(2E)-2-[[4-[(2,4-dihydroxyphenyl)methylamino]phenyl]-methylhydrazinylidene]propyl]-methylamino]ethenyl]-methylazanium
SMILESC[NH2+]/C=C\N(C)C/C(C)=N/N(C)c1ccc(NCc2ccc(O)cc2O)cc1
InChIInChI=1S/C21H29N5O2/c1-16(15-25(3)12-11-22-2)24-26(4)19-8-6-18(7-9-19)23-14-17-5-10-20(27)13-21(17)28/h5-13,22-23,27-28H,14-15H2,1-4H3/p+1/b12-11-,24-16+
InChIKeyIBLWAHXWZAXKKX-CIWMCXQZSA-O
MW384.50 g/mol
LogP2.12
Rot. Bonds9

About [(Z)-2-[[(2E)-2-[[4-[(2,4-dihydroxyphenyl)methylamino]phenyl]-methylhydrazinylidene]propyl]-methylamino]ethenyl]-methylazanium

[(Z)-2-[[(2E)-2-[[4-[(2,4-dihydroxyphenyl)methylamino]phenyl]-methylhydrazinylidene]propyl]-methylamino]ethenyl]-methylazanium (PubChem CID 143565701) has the molecular formula C21H30N5O2+ and a molecular weight of 384.50 g/mol. Its IUPAC name is [(Z)-2-[[(2E)-2-[[4-[(2,4-dihydroxyphenyl)methylamino]phenyl]-methylhydrazinylidene]propyl]-methylamino]ethenyl]-methylazanium.

Molecular Properties

Compound Name[(Z)-2-[[(2E)-2-[[4-[(2,4-dihydroxyphenyl)methylamino]phenyl]-methylhydrazinylidene]propyl]-methylamino]ethenyl]-methylazanium
PubChem CID143565701
Molecular FormulaC21H30N5O2+
Molecular Weight384.50 g/mol
Exact Mass384.24
IUPAC Name[(Z)-2-[[(2E)-2-[[4-[(2,4-dihydroxyphenyl)methylamino]phenyl]-methylhydrazinylidene]propyl]-methylamino]ethenyl]-methylazanium
SMILESC[NH2+]/C=C\N(C)C/C(C)=N/N(C)c1ccc(NCc2ccc(O)cc2O)cc1
InChIInChI=1S/C21H29N5O2/c1-16(15-25(3)12-11-22-2)24-26(4)19-8-6-18(7-9-19)23-14-17-5-10-20(27)13-21(17)28/h5-13,22-23,27-28H,14-15H2,1-4H3/p+1/b12-11-,24-16+
InChIKeyIBLWAHXWZAXKKX-CIWMCXQZSA-O
XLogP2.12
TPSA87.94 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', '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

ethyl (2Z)-2-[[4-[(2,4-dihydroxyphenyl)methylamino]phenyl]-methylhydrazinylidene]-3-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propanoate
CID 143565779
4-[[4-[methyl-[(E)-2-[methyl-[(Z)-2-(methylamino)ethenyl]amino]ethylideneamino]amino]anilino]methyl]benzene-1,3-diol
CID 143565695
4-[(2,4-dihydroxyphenyl)methylamino]-N,N-dimethylbenzamide
CID 43681979
4-[(3-iodo-4-methylanilino)methyl]benzene-1,3-diol
CID 43716212
4-N-methyl-4-N-[(E)-1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propan-2-ylideneamino]benzene-1,4-diamine
CID 143565667
4-[(4-fluoro-3-methylanilino)methyl]benzene-1,3-diol
CID 55119119
2-[(4-hydroxyanilino)methyl]-4-methylphenol
CID 55205511
N-[5-[(2,4-dihydroxyphenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928497
4-[(4-chloro-3-fluoroanilino)methyl]benzene-1,3-diol
CID 43721464
4-[[3-(methoxymethyl)anilino]methyl]benzene-1,3-diol
CID 43672155
1-N-benzyl-4-N-methyl-4-N-[(E)-[(4Z,6Z)-7-(methylamino)hepta-4,6-dien-2-ylidene]amino]benzene-1,4-diamine
CID 143569041
4-[[2-[(2,4-dihydroxyphenyl)methylamino]ethylamino]methyl]benzene-1,3-diol
CID 138502169

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-[[(2E)-2-[[4-[(2,4-dihydroxyphenyl)methylamino]phenyl]-methylhydrazinylidene]propyl]-methylamino]ethenyl]-methylazanium?
The IUPAC name of [(Z)-2-[[(2E)-2-[[4-[(2,4-dihydroxyphenyl)methylamino]phenyl]-methylhydrazinylidene]propyl]-methylamino]ethenyl]-methylazanium (CID 143565701) is [(Z)-2-[[(2E)-2-[[4-[(2,4-dihydroxyphenyl)methylamino]phenyl]-methylhydrazinylidene]propyl]-methylamino]ethenyl]-methylazanium.
What is the SMILES notation for [(Z)-2-[[(2E)-2-[[4-[(2,4-dihydroxyphenyl)methylamino]phenyl]-methylhydrazinylidene]propyl]-methylamino]ethenyl]-methylazanium?
The canonical SMILES for [(Z)-2-[[(2E)-2-[[4-[(2,4-dihydroxyphenyl)methylamino]phenyl]-methylhydrazinylidene]propyl]-methylamino]ethenyl]-methylazanium is C[NH2+]/C=C\N(C)C/C(C)=N/N(C)c1ccc(NCc2ccc(O)cc2O)cc1.
What is the InChIKey of [(Z)-2-[[(2E)-2-[[4-[(2,4-dihydroxyphenyl)methylamino]phenyl]-methylhydrazinylidene]propyl]-methylamino]ethenyl]-methylazanium?
The InChIKey is IBLWAHXWZAXKKX-CIWMCXQZSA-O. The full InChI is InChI=1S/C21H29N5O2/c1-16(15-25(3)12-11-22-2)24-26(4)19-8-6-18(7-9-19)23-14-17-5-10-20(27)13-21(17)28/h5-13,22-23,27-28H,14-15H2,1-4H3/p+1/b12-11-,24-16+.
What are the key properties of [(Z)-2-[[(2E)-2-[[4-[(2,4-dihydroxyphenyl)methylamino]phenyl]-methylhydrazinylidene]propyl]-methylamino]ethenyl]-methylazanium?
[(Z)-2-[[(2E)-2-[[4-[(2,4-dihydroxyphenyl)methylamino]phenyl]-methylhydrazinylidene]propyl]-methylamino]ethenyl]-methylazanium has a molecular weight of 384.50 g/mol, XLogP of 2.12, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-[[(2E)-2-[[4-[(2,4-dihydroxyphenyl)methylamino]phenyl]-methylhydrazinylidene]propyl]-methylamino]ethenyl]-methylazanium is sourced from PubChem (CID 143565701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).