N-[(E)-2-(methylideneamino)-2-(3-methyl-2H-imidazol-1-yl)ethenyl]ethanimine

C9H14N4 — CID 145059264

IUPACN-[(E)-2-(methylideneamino)-2-(3-methyl-2H-imidazol-1-yl)ethenyl]ethanimine
SMILESC=N/C(=C\N=C\C)N1C=CN(C)C1
InChIInChI=1S/C9H14N4/c1-4-11-7-9(10-2)13-6-5-12(3)8-13/h4-7H,2,8H2,1,3H3/b9-7+,11-4+
InChIKeyVFYGFURJZFNJCC-KLGRRIHOSA-N
MW178.24 g/mol
LogP1.25
Rot. Bonds3

About N-[(E)-2-(methylideneamino)-2-(3-methyl-2H-imidazol-1-yl)ethenyl]ethanimine

N-[(E)-2-(methylideneamino)-2-(3-methyl-2H-imidazol-1-yl)ethenyl]ethanimine (PubChem CID 145059264) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is N-[(E)-2-(methylideneamino)-2-(3-methyl-2H-imidazol-1-yl)ethenyl]ethanimine.

Molecular Properties

Compound NameN-[(E)-2-(methylideneamino)-2-(3-methyl-2H-imidazol-1-yl)ethenyl]ethanimine
PubChem CID145059264
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC NameN-[(E)-2-(methylideneamino)-2-(3-methyl-2H-imidazol-1-yl)ethenyl]ethanimine
SMILESC=N/C(=C\N=C\C)N1C=CN(C)C1
InChIInChI=1S/C9H14N4/c1-4-11-7-9(10-2)13-6-5-12(3)8-13/h4-7H,2,8H2,1,3H3/b9-7+,11-4+
InChIKeyVFYGFURJZFNJCC-KLGRRIHOSA-N
XLogP1.25
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-Dimethylamino-2,5-diazafulvene
CID 10396839
1-Vinyl-2,2'-biimidazolyl
CID 129811906
3-Ethenyl-2,4-dihydroimidazole
CID 54420870
(7Z)-1,3-dimethyl-2-methylidene-4H-1,3,6-triazocine
CID 57785784
(8Z)-1,4,7,10-tetrazatricyclo[5.5.1.04,13]trideca-2,5,8,10-tetraene
CID 67769658
2-Imidazol-2-ylidene-1,3-dimethylimidazole
CID 69293619
1,3-dimethyl-2-methylidene-4H-1,3,6-triazocine
CID 76605140
1-Ethenyl-2,2-dimethylimidazol-1-ium
CID 88835938
3-Ethenyl-2-methyl-2,4-dihydroimidazole
CID 90776816
1-methyl-3-methylidene-2H-imidazol-3-ium
CID 91015933
ethane;N-methylethanimine;1-N,1-N,1-N',1-N'-tetramethylethene-1,1-diamine
CID 143837560
1-N,1-N,1-N'-trimethyl-1-N'-[(Z)-2-(methylideneamino)ethenyl]ethene-1,1-diamine
CID 143837593

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(methylideneamino)-2-(3-methyl-2H-imidazol-1-yl)ethenyl]ethanimine?
The IUPAC name of N-[(E)-2-(methylideneamino)-2-(3-methyl-2H-imidazol-1-yl)ethenyl]ethanimine (CID 145059264) is N-[(E)-2-(methylideneamino)-2-(3-methyl-2H-imidazol-1-yl)ethenyl]ethanimine.
What is the SMILES notation for N-[(E)-2-(methylideneamino)-2-(3-methyl-2H-imidazol-1-yl)ethenyl]ethanimine?
The canonical SMILES for N-[(E)-2-(methylideneamino)-2-(3-methyl-2H-imidazol-1-yl)ethenyl]ethanimine is C=N/C(=C\N=C\C)N1C=CN(C)C1.
What is the InChIKey of N-[(E)-2-(methylideneamino)-2-(3-methyl-2H-imidazol-1-yl)ethenyl]ethanimine?
The InChIKey is VFYGFURJZFNJCC-KLGRRIHOSA-N. The full InChI is InChI=1S/C9H14N4/c1-4-11-7-9(10-2)13-6-5-12(3)8-13/h4-7H,2,8H2,1,3H3/b9-7+,11-4+.
What are the key properties of N-[(E)-2-(methylideneamino)-2-(3-methyl-2H-imidazol-1-yl)ethenyl]ethanimine?
N-[(E)-2-(methylideneamino)-2-(3-methyl-2H-imidazol-1-yl)ethenyl]ethanimine has a molecular weight of 178.24 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(methylideneamino)-2-(3-methyl-2H-imidazol-1-yl)ethenyl]ethanimine is sourced from PubChem (CID 145059264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).