ethane;N'-hydrazinyl-3-methylbenzenecarboximidamide;toluene

C19H32N4 — CID 143457159

IUPACethane;N'-hydrazinyl-3-methylbenzenecarboximidamide;toluene
SMILESCC.CC.Cc1cccc(/C(N)=N/NN)c1.Cc1ccccc1
InChIInChI=1S/C8H12N4.C7H8.2C2H6/c1-6-3-2-4-7(5-6)8(9)11-12-10;1-7-5-3-2-4-6-7;2*1-2/h2-5,12H,10H2,1H3,(H2,9,11);2-6H,1H3;2*1-2H3
InChIKeyVIYRRVJNIZTTNE-UHFFFAOYSA-N
MW316.49 g/mol
LogP4.13
Rot. Bonds2

About ethane;N'-hydrazinyl-3-methylbenzenecarboximidamide;toluene

ethane;N'-hydrazinyl-3-methylbenzenecarboximidamide;toluene (PubChem CID 143457159) has the molecular formula C19H32N4 and a molecular weight of 316.49 g/mol. Its IUPAC name is ethane;N'-hydrazinyl-3-methylbenzenecarboximidamide;toluene.

Molecular Properties

Compound Nameethane;N'-hydrazinyl-3-methylbenzenecarboximidamide;toluene
PubChem CID143457159
Molecular FormulaC19H32N4
Molecular Weight316.49 g/mol
Exact Mass316.26
IUPAC Nameethane;N'-hydrazinyl-3-methylbenzenecarboximidamide;toluene
SMILESCC.CC.Cc1cccc(/C(N)=N/NN)c1.Cc1ccccc1
InChIInChI=1S/C8H12N4.C7H8.2C2H6/c1-6-3-2-4-7(5-6)8(9)11-12-10;1-7-5-3-2-4-6-7;2*1-2/h2-5,12H,10H2,1H3,(H2,9,11);2-6H,1H3;2*1-2H3
InChIKeyVIYRRVJNIZTTNE-UHFFFAOYSA-N
XLogP4.13
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(Z)-N'-hydrazinylcarbamimidoyl]benzoic acid
CID 162722030
N'-hydroxy-3-methylbenzenecarboximidamide
CID 162202893
[(Z)-[amino-(3-methylphenyl)methylidene]amino] benzoate
CID 5348857
N'-tert-butyl-3-methylbenzenecarboximidamide
CID 63181411
[[amino-(3-methylphenyl)methylidene]amino] N-phenylcarbamate
CID 71329912
[(E)-[amino-(3-methylphenyl)methylidene]amino] (2S)-2-phenoxypropanoate
CID 28922582
1-(3-methylphenyl)ethenylhydrazine
CID 129060271
N'-(methylamino)benzenecarboximidamide;hydroiodide
CID 12566592
1,1-bis(3-methylphenyl)-N-phenylmethanimine
CID 59167245
argon;ethane;3-methylbenzamide;molecular hydrogen
CID 144862945
[[amino-(3-methylphenyl)methylidene]amino] 3-phenylpropanoate
CID 2888204
3-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6271545

Frequently Asked Questions

What is the IUPAC name of ethane;N'-hydrazinyl-3-methylbenzenecarboximidamide;toluene?
The IUPAC name of ethane;N'-hydrazinyl-3-methylbenzenecarboximidamide;toluene (CID 143457159) is ethane;N'-hydrazinyl-3-methylbenzenecarboximidamide;toluene.
What is the SMILES notation for ethane;N'-hydrazinyl-3-methylbenzenecarboximidamide;toluene?
The canonical SMILES for ethane;N'-hydrazinyl-3-methylbenzenecarboximidamide;toluene is CC.CC.Cc1cccc(/C(N)=N/NN)c1.Cc1ccccc1.
What is the InChIKey of ethane;N'-hydrazinyl-3-methylbenzenecarboximidamide;toluene?
The InChIKey is VIYRRVJNIZTTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4.C7H8.2C2H6/c1-6-3-2-4-7(5-6)8(9)11-12-10;1-7-5-3-2-4-6-7;2*1-2/h2-5,12H,10H2,1H3,(H2,9,11);2-6H,1H3;2*1-2H3.
What are the key properties of ethane;N'-hydrazinyl-3-methylbenzenecarboximidamide;toluene?
ethane;N'-hydrazinyl-3-methylbenzenecarboximidamide;toluene has a molecular weight of 316.49 g/mol, XLogP of 4.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-hydrazinyl-3-methylbenzenecarboximidamide;toluene is sourced from PubChem (CID 143457159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).