4-N-methyl-4-N-[(E)-1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propan-2-ylideneamino]benzene-1,4-diamine

C14H23N5 — CID 143565667

IUPAC4-N-methyl-4-N-[(E)-1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propan-2-ylideneamino]benzene-1,4-diamine
SMILESCN/C=C\N(C)C/C(C)=N/N(C)c1ccc(N)cc1
InChIInChI=1S/C14H23N5/c1-12(11-18(3)10-9-16-2)17-19(4)14-7-5-13(15)6-8-14/h5-10,16H,11,15H2,1-4H3/b10-9-,17-12+
InChIKeyQMXKJADUCKJVPE-BOCOQIOWSA-N
MW261.37 g/mol
LogP1.70
Rot. Bonds6

About 4-N-methyl-4-N-[(E)-1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propan-2-ylideneamino]benzene-1,4-diamine

4-N-methyl-4-N-[(E)-1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propan-2-ylideneamino]benzene-1,4-diamine (PubChem CID 143565667) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-N-methyl-4-N-[(E)-1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propan-2-ylideneamino]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[(E)-1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propan-2-ylideneamino]benzene-1,4-diamine
PubChem CID143565667
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name4-N-methyl-4-N-[(E)-1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propan-2-ylideneamino]benzene-1,4-diamine
SMILESCN/C=C\N(C)C/C(C)=N/N(C)c1ccc(N)cc1
InChIInChI=1S/C14H23N5/c1-12(11-18(3)10-9-16-2)17-19(4)14-7-5-13(15)6-8-14/h5-10,16H,11,15H2,1-4H3/b10-9-,17-12+
InChIKeyQMXKJADUCKJVPE-BOCOQIOWSA-N
XLogP1.70
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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-aminophenyl)-methylhydrazinylidene]-3-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propanoate
CID 143565604
2-[N-(2-hydroxyethyl)-4-[methyl-[(E)-2-[methyl-[(Z)-2-(methylamino)ethenyl]amino]ethylideneamino]amino]anilino]ethanol
CID 143565589
ethyl (2Z)-2-[[4-[(2,4-dihydroxyphenyl)methylamino]phenyl]-methylhydrazinylidene]-3-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propanoate
CID 143565779
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-N-methyl-4-N-(2-methylprop-2-enyl)benzene-1,4-diamine
CID 130933659
2-N-[(2E)-2-[(4-anilinophenyl)-methylhydrazinylidene]propyl]-1-N,2-N-dimethylbenzene-1,2-diamine
CID 143565750
4-N-[4-[2-[1-[methyl-[2-(methylamino)ethenyl]amino]ethenyl]hydrazinyl]phenyl]benzene-1,4-diamine
CID 153262202
4-[(E)-2-(methylamino)ethenyl]aniline
CID 89079211
N-(4-aminophenyl)-N,N'-dimethylethanimidamide
CID 70562086
4-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-(4-amino-N-(4-aminophenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-(4-aminophenyl)benzene-1,4-diamine
CID 163509117
2-chloro-N-[4-[4-[methyl-[[methyl-[2-(methylamino)ethenyl]amino]methylamino]amino]anilino]phenyl]acetamide
CID 148992239
N-methyl-N-[(E)-4-phenylbutan-2-ylideneamino]aniline
CID 15442579

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[(E)-1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propan-2-ylideneamino]benzene-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-[(E)-1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propan-2-ylideneamino]benzene-1,4-diamine (CID 143565667) is 4-N-methyl-4-N-[(E)-1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propan-2-ylideneamino]benzene-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[(E)-1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propan-2-ylideneamino]benzene-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-[(E)-1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propan-2-ylideneamino]benzene-1,4-diamine is CN/C=C\N(C)C/C(C)=N/N(C)c1ccc(N)cc1.
What is the InChIKey of 4-N-methyl-4-N-[(E)-1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propan-2-ylideneamino]benzene-1,4-diamine?
The InChIKey is QMXKJADUCKJVPE-BOCOQIOWSA-N. The full InChI is InChI=1S/C14H23N5/c1-12(11-18(3)10-9-16-2)17-19(4)14-7-5-13(15)6-8-14/h5-10,16H,11,15H2,1-4H3/b10-9-,17-12+.
What are the key properties of 4-N-methyl-4-N-[(E)-1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propan-2-ylideneamino]benzene-1,4-diamine?
4-N-methyl-4-N-[(E)-1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propan-2-ylideneamino]benzene-1,4-diamine has a molecular weight of 261.37 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[(E)-1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propan-2-ylideneamino]benzene-1,4-diamine is sourced from PubChem (CID 143565667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).