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

C11H19N3 — CID 168898441

IUPACN-ethenyl-1-(2-methylimidazol-1-yl)methanimine;2-methylpropane
SMILESC=C/N=C/n1ccnc1C.CC(C)C
InChIInChI=1S/C7H9N3.C4H10/c1-3-8-6-10-5-4-9-7(10)2;1-4(2)3/h3-6H,1H2,2H3;4H,1-3H3/b8-6+;
InChIKeyNJNZWNJZOSBFBP-WVLIHFOGSA-N
MW193.29 g/mol
LogP2.87
Rot. Bonds2

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

N-ethenyl-1-(2-methylimidazol-1-yl)methanimine;2-methylpropane (PubChem CID 168898441) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-ethenyl-1-(2-methylimidazol-1-yl)methanimine;2-methylpropane.

Molecular Properties

Compound NameN-ethenyl-1-(2-methylimidazol-1-yl)methanimine;2-methylpropane
PubChem CID168898441
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-ethenyl-1-(2-methylimidazol-1-yl)methanimine;2-methylpropane
SMILESC=C/N=C/n1ccnc1C.CC(C)C
InChIInChI=1S/C7H9N3.C4H10/c1-3-8-6-10-5-4-9-7(10)2;1-4(2)3/h3-6H,1H2,2H3;4H,1-3H3/b8-6+;
InChIKeyNJNZWNJZOSBFBP-WVLIHFOGSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-1-(2-methylimidazol-1-yl)methanimine;2-methylpropane?
The IUPAC name of N-ethenyl-1-(2-methylimidazol-1-yl)methanimine;2-methylpropane (CID 168898441) is N-ethenyl-1-(2-methylimidazol-1-yl)methanimine;2-methylpropane.
What is the SMILES notation for N-ethenyl-1-(2-methylimidazol-1-yl)methanimine;2-methylpropane?
The canonical SMILES for N-ethenyl-1-(2-methylimidazol-1-yl)methanimine;2-methylpropane is C=C/N=C/n1ccnc1C.CC(C)C.
What is the InChIKey of N-ethenyl-1-(2-methylimidazol-1-yl)methanimine;2-methylpropane?
The InChIKey is NJNZWNJZOSBFBP-WVLIHFOGSA-N. The full InChI is InChI=1S/C7H9N3.C4H10/c1-3-8-6-10-5-4-9-7(10)2;1-4(2)3/h3-6H,1H2,2H3;4H,1-3H3/b8-6+;.
What are the key properties of N-ethenyl-1-(2-methylimidazol-1-yl)methanimine;2-methylpropane?
N-ethenyl-1-(2-methylimidazol-1-yl)methanimine;2-methylpropane has a molecular weight of 193.29 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-1-(2-methylimidazol-1-yl)methanimine;2-methylpropane is sourced from PubChem (CID 168898441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).