(E)-N-(2-ethenylimidazol-1-yl)-3-methylbutan-2-imine

C10H15N3 — CID 177348828

IUPAC(E)-N-(2-ethenylimidazol-1-yl)-3-methylbutan-2-imine
SMILESC=Cc1nccn1/N=C(\C)C(C)C
InChIInChI=1S/C10H15N3/c1-5-10-11-6-7-13(10)12-9(4)8(2)3/h5-8H,1H2,2-4H3/b12-9+
InChIKeySEHDXSZAUNNNHG-FMIVXFBMSA-N
MW177.25 g/mol
LogP2.41
Rot. Bonds3

About (E)-N-(2-ethenylimidazol-1-yl)-3-methylbutan-2-imine

(E)-N-(2-ethenylimidazol-1-yl)-3-methylbutan-2-imine (PubChem CID 177348828) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is (E)-N-(2-ethenylimidazol-1-yl)-3-methylbutan-2-imine.

Molecular Properties

Compound Name(E)-N-(2-ethenylimidazol-1-yl)-3-methylbutan-2-imine
PubChem CID177348828
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name(E)-N-(2-ethenylimidazol-1-yl)-3-methylbutan-2-imine
SMILESC=Cc1nccn1/N=C(\C)C(C)C
InChIInChI=1S/C10H15N3/c1-5-10-11-6-7-13(10)12-9(4)8(2)3/h5-8H,1H2,2-4H3/b12-9+
InChIKeySEHDXSZAUNNNHG-FMIVXFBMSA-N
XLogP2.41
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-ethenylimidazol-1-yl)-3-methylbutan-2-imine?
The IUPAC name of (E)-N-(2-ethenylimidazol-1-yl)-3-methylbutan-2-imine (CID 177348828) is (E)-N-(2-ethenylimidazol-1-yl)-3-methylbutan-2-imine.
What is the SMILES notation for (E)-N-(2-ethenylimidazol-1-yl)-3-methylbutan-2-imine?
The canonical SMILES for (E)-N-(2-ethenylimidazol-1-yl)-3-methylbutan-2-imine is C=Cc1nccn1/N=C(\C)C(C)C.
What is the InChIKey of (E)-N-(2-ethenylimidazol-1-yl)-3-methylbutan-2-imine?
The InChIKey is SEHDXSZAUNNNHG-FMIVXFBMSA-N. The full InChI is InChI=1S/C10H15N3/c1-5-10-11-6-7-13(10)12-9(4)8(2)3/h5-8H,1H2,2-4H3/b12-9+.
What are the key properties of (E)-N-(2-ethenylimidazol-1-yl)-3-methylbutan-2-imine?
(E)-N-(2-ethenylimidazol-1-yl)-3-methylbutan-2-imine has a molecular weight of 177.25 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-ethenylimidazol-1-yl)-3-methylbutan-2-imine is sourced from PubChem (CID 177348828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).