N-[(E)-(2,4,5-trimethylphenyl)methylideneamino]ethenamine

C12H16N2 — CID 166830045

IUPACN-[(E)-(2,4,5-trimethylphenyl)methylideneamino]ethenamine
SMILESC=CN/N=C/c1cc(C)c(C)cc1C
InChIInChI=1S/C12H16N2/c1-5-13-14-8-12-7-10(3)9(2)6-11(12)4/h5-8,13H,1H2,2-4H3/b14-8+
InChIKeyPEGNUVCXJLFUKU-RIYZIHGNSA-N
MW188.27 g/mol
LogP2.68
Rot. Bonds3

About N-[(E)-(2,4,5-trimethylphenyl)methylideneamino]ethenamine

N-[(E)-(2,4,5-trimethylphenyl)methylideneamino]ethenamine (PubChem CID 166830045) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-[(E)-(2,4,5-trimethylphenyl)methylideneamino]ethenamine.

Molecular Properties

Compound NameN-[(E)-(2,4,5-trimethylphenyl)methylideneamino]ethenamine
PubChem CID166830045
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC NameN-[(E)-(2,4,5-trimethylphenyl)methylideneamino]ethenamine
SMILESC=CN/N=C/c1cc(C)c(C)cc1C
InChIInChI=1S/C12H16N2/c1-5-13-14-8-12-7-10(3)9(2)6-11(12)4/h5-8,13H,1H2,2-4H3/b14-8+
InChIKeyPEGNUVCXJLFUKU-RIYZIHGNSA-N
XLogP2.68
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.68
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'}

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Related Compounds

N-[(2,4,5-trimethylphenyl)methylidene]hydroxylamine
CID 72739618
2-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]guanidine
CID 9057981
3,4-dimethoxy-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]benzamide
CID 9232674
N-tert-butyl-1-(4-methoxy-2,5-dimethylphenyl)methanimine
CID 71182661
N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 9233477
N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]aniline
CID 4212050
[(Z)-(4,5-dimethoxy-2-methylphenyl)methylideneamino]urea
CID 124643941
N-(2-ethenyl-4,5-dimethylphenyl)methanimine
CID 177137027
methane;1,2,4,5-tetramethylbenzene
CID 162125793
1-[(1E)-2,3-dimethylbuta-1,3-dienyl]-2,4,5-trimethylbenzene;ethane
CID 145367667
2-(5-phenyltetrazol-2-yl)-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]acetamide
CID 8524097
2,7-bis(ethenyl)-3,6-dimethylnaphthalene
CID 174382299

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4,5-trimethylphenyl)methylideneamino]ethenamine?
The IUPAC name of N-[(E)-(2,4,5-trimethylphenyl)methylideneamino]ethenamine (CID 166830045) is N-[(E)-(2,4,5-trimethylphenyl)methylideneamino]ethenamine.
What is the SMILES notation for N-[(E)-(2,4,5-trimethylphenyl)methylideneamino]ethenamine?
The canonical SMILES for N-[(E)-(2,4,5-trimethylphenyl)methylideneamino]ethenamine is C=CN/N=C/c1cc(C)c(C)cc1C.
What is the InChIKey of N-[(E)-(2,4,5-trimethylphenyl)methylideneamino]ethenamine?
The InChIKey is PEGNUVCXJLFUKU-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H16N2/c1-5-13-14-8-12-7-10(3)9(2)6-11(12)4/h5-8,13H,1H2,2-4H3/b14-8+.
What are the key properties of N-[(E)-(2,4,5-trimethylphenyl)methylideneamino]ethenamine?
N-[(E)-(2,4,5-trimethylphenyl)methylideneamino]ethenamine has a molecular weight of 188.27 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4,5-trimethylphenyl)methylideneamino]ethenamine is sourced from PubChem (CID 166830045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).