N-ethenyl-1-(1-methylimidazol-2-yl)methanimine;2-methylpropane

C11H19N3 — CID 177189399

IUPACN-ethenyl-1-(1-methylimidazol-2-yl)methanimine;2-methylpropane
SMILESC=C/N=C/c1nccn1C.CC(C)C
InChIInChI=1S/C7H9N3.C4H10/c1-3-8-6-7-9-4-5-10(7)2;1-4(2)3/h3-6H,1H2,2H3;4H,1-3H3/b8-6+;
InChIKeyOOHDHWXDSQERIC-WVLIHFOGSA-N
MW193.29 g/mol
LogP2.64
Rot. Bonds2

About N-ethenyl-1-(1-methylimidazol-2-yl)methanimine;2-methylpropane

N-ethenyl-1-(1-methylimidazol-2-yl)methanimine;2-methylpropane (PubChem CID 177189399) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-ethenyl-1-(1-methylimidazol-2-yl)methanimine;2-methylpropane.

Molecular Properties

Compound NameN-ethenyl-1-(1-methylimidazol-2-yl)methanimine;2-methylpropane
PubChem CID177189399
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-ethenyl-1-(1-methylimidazol-2-yl)methanimine;2-methylpropane
SMILESC=C/N=C/c1nccn1C.CC(C)C
InChIInChI=1S/C7H9N3.C4H10/c1-3-8-6-7-9-4-5-10(7)2;1-4(2)3/h3-6H,1H2,2H3;4H,1-3H3/b8-6+;
InChIKeyOOHDHWXDSQERIC-WVLIHFOGSA-N
XLogP2.64
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethenyl-1-(1-methylimidazol-2-yl)methanimine;2-methylpropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-(1-methylimidazol-2-yl)-N-propan-2-yloxymethanimine
CID 59340385
N-[2,2-dimethyl-3-[(1-methylimidazol-2-yl)methylideneamino]propyl]-1-(1-methylimidazol-2-yl)methanimine
CID 101458660
N-ethenyl-1-(2-methylimidazol-1-yl)methanimine;2-methylpropane
CID 168898441
1-methyl-2-prop-1-enylimidazole;hydroiodide
CID 175574352
1-(1-methylimidazol-2-yl)-N-[4-[3-[(1-methylimidazol-2-yl)methylideneamino]-5-[4-[(1-methylimidazol-2-yl)methylideneamino]phenyl]phenyl]phenyl]methanimine
CID 122212512
1-methyl-2-[(Z)-2-propan-2-ylbut-1-en-3-ynyl]imidazole
CID 170152254
3,4-dimethyl-N-[(1-methylimidazol-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 69054615
3-(1-methylimidazol-2-yl)prop-2-enal
CID 131852628
N-[(1-methylimidazol-2-yl)methylideneamino]thiophen-2-amine
CID 166749241
N-ethyl-N-methyl-4-[(1-methylimidazol-2-yl)methylideneamino]aniline
CID 138494759
1-(1-methylimidazol-2-yl)prop-2-en-1-ol
CID 58549926
(E)-N-(2-ethenylimidazol-1-yl)-3-methylbutan-2-imine
CID 177348828

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-1-(1-methylimidazol-2-yl)methanimine;2-methylpropane?
The IUPAC name of N-ethenyl-1-(1-methylimidazol-2-yl)methanimine;2-methylpropane (CID 177189399) is N-ethenyl-1-(1-methylimidazol-2-yl)methanimine;2-methylpropane.
What is the SMILES notation for N-ethenyl-1-(1-methylimidazol-2-yl)methanimine;2-methylpropane?
The canonical SMILES for N-ethenyl-1-(1-methylimidazol-2-yl)methanimine;2-methylpropane is C=C/N=C/c1nccn1C.CC(C)C.
What is the InChIKey of N-ethenyl-1-(1-methylimidazol-2-yl)methanimine;2-methylpropane?
The InChIKey is OOHDHWXDSQERIC-WVLIHFOGSA-N. The full InChI is InChI=1S/C7H9N3.C4H10/c1-3-8-6-7-9-4-5-10(7)2;1-4(2)3/h3-6H,1H2,2H3;4H,1-3H3/b8-6+;.
What are the key properties of N-ethenyl-1-(1-methylimidazol-2-yl)methanimine;2-methylpropane?
N-ethenyl-1-(1-methylimidazol-2-yl)methanimine;2-methylpropane has a molecular weight of 193.29 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-1-(1-methylimidazol-2-yl)methanimine;2-methylpropane is sourced from PubChem (CID 177189399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).