methyl-[(1Z,3E)-3-[(E)-[methyl(phenyl)hydrazinylidene]methyl]hexa-1,3,5-trienyl]azanium

C15H20N3+ — CID 143819841

IUPACmethyl-[(1Z,3E)-3-[(E)-[methyl(phenyl)hydrazinylidene]methyl]hexa-1,3,5-trienyl]azanium
SMILESC=C/C=C(\C=C/[NH2+]C)/C=N/N(C)c1ccccc1
InChIInChI=1S/C15H19N3/c1-4-8-14(11-12-16-2)13-17-18(3)15-9-6-5-7-10-15/h4-13,16H,1H2,2-3H3/p+1/b12-11-,14-8+,17-13+
InChIKeyNAUTVWBTVMGDAD-AWRZGFHJSA-O
MW242.35 g/mol
LogP1.93
Rot. Bonds6

About methyl-[(1Z,3E)-3-[(E)-[methyl(phenyl)hydrazinylidene]methyl]hexa-1,3,5-trienyl]azanium

methyl-[(1Z,3E)-3-[(E)-[methyl(phenyl)hydrazinylidene]methyl]hexa-1,3,5-trienyl]azanium (PubChem CID 143819841) has the molecular formula C15H20N3+ and a molecular weight of 242.35 g/mol. Its IUPAC name is methyl-[(1Z,3E)-3-[(E)-[methyl(phenyl)hydrazinylidene]methyl]hexa-1,3,5-trienyl]azanium.

Molecular Properties

Compound Namemethyl-[(1Z,3E)-3-[(E)-[methyl(phenyl)hydrazinylidene]methyl]hexa-1,3,5-trienyl]azanium
PubChem CID143819841
Molecular FormulaC15H20N3+
Molecular Weight242.35 g/mol
Exact Mass242.17
IUPAC Namemethyl-[(1Z,3E)-3-[(E)-[methyl(phenyl)hydrazinylidene]methyl]hexa-1,3,5-trienyl]azanium
SMILESC=C/C=C(\C=C/[NH2+]C)/C=N/N(C)c1ccccc1
InChIInChI=1S/C15H19N3/c1-4-8-14(11-12-16-2)13-17-18(3)15-9-6-5-7-10-15/h4-13,16H,1H2,2-3H3/p+1/b12-11-,14-8+,17-13+
InChIKeyNAUTVWBTVMGDAD-AWRZGFHJSA-O
XLogP1.93
TPSA32.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[(3Z)-2,3-bis[methyl(phenyl)hydrazinylidene]propylidene]amino]-N-methylaniline
CID 6080786
2-[methyl(phenyl)hydrazinylidene]acetyl chloride
CID 23261017
N-methyl-N-[(Z)-[(2Z)-2-[methyl(phenyl)hydrazinylidene]-2-phenylethylidene]amino]aniline
CID 40540962
methanamine;N-methyl-N-[(E)-[(Z)-2-methylidene-4-(2-methylphenyl)but-3-enylidene]amino]aniline
CID 143565487
ethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-N-methylaniline
CID 144531022
[(1Z,3E)-3-[(E)-[methyl(phenyl)hydrazinylidene]methyl]penta-1,3-dienyl]-[2-[2-[2-[[2-[4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]pyridin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethylamino]-2-oxoethyl]azanium
CID 143373708
N-methyl-N-[(E)-[1-[2-[2-[[(2E)-3-[(E)-[methyl(phenyl)hydrazinylidene]methyl]penta-2,4-dienylidene]amino]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]methylideneamino]aniline
CID 143373711
N-methyl-N-[(E)-[(3Z)-2-(methylamino)hexa-3,5-dienylidene]amino]aniline
CID 89320169
N-[(E)-[(2E,3E)-2,3-bis[methyl(phenyl)hydrazinylidene]propylidene]amino]aniline
CID 18531202
2-[[methyl(phenyl)hydrazinylidene]methyl]-N,N-diphenylaniline
CID 71246235
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-N-methylaniline
CID 7584047
1-methyl-1-[(1E)-1-phenylbuta-1,3-dienyl]hydrazine
CID 89298001

Frequently Asked Questions

What is the IUPAC name of methyl-[(1Z,3E)-3-[(E)-[methyl(phenyl)hydrazinylidene]methyl]hexa-1,3,5-trienyl]azanium?
The IUPAC name of methyl-[(1Z,3E)-3-[(E)-[methyl(phenyl)hydrazinylidene]methyl]hexa-1,3,5-trienyl]azanium (CID 143819841) is methyl-[(1Z,3E)-3-[(E)-[methyl(phenyl)hydrazinylidene]methyl]hexa-1,3,5-trienyl]azanium.
What is the SMILES notation for methyl-[(1Z,3E)-3-[(E)-[methyl(phenyl)hydrazinylidene]methyl]hexa-1,3,5-trienyl]azanium?
The canonical SMILES for methyl-[(1Z,3E)-3-[(E)-[methyl(phenyl)hydrazinylidene]methyl]hexa-1,3,5-trienyl]azanium is C=C/C=C(\C=C/[NH2+]C)/C=N/N(C)c1ccccc1.
What is the InChIKey of methyl-[(1Z,3E)-3-[(E)-[methyl(phenyl)hydrazinylidene]methyl]hexa-1,3,5-trienyl]azanium?
The InChIKey is NAUTVWBTVMGDAD-AWRZGFHJSA-O. The full InChI is InChI=1S/C15H19N3/c1-4-8-14(11-12-16-2)13-17-18(3)15-9-6-5-7-10-15/h4-13,16H,1H2,2-3H3/p+1/b12-11-,14-8+,17-13+.
What are the key properties of methyl-[(1Z,3E)-3-[(E)-[methyl(phenyl)hydrazinylidene]methyl]hexa-1,3,5-trienyl]azanium?
methyl-[(1Z,3E)-3-[(E)-[methyl(phenyl)hydrazinylidene]methyl]hexa-1,3,5-trienyl]azanium has a molecular weight of 242.35 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(1Z,3E)-3-[(E)-[methyl(phenyl)hydrazinylidene]methyl]hexa-1,3,5-trienyl]azanium is sourced from PubChem (CID 143819841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).