1-(2-ethenyl-3-methylimidazol-4-yl)-N-methylmethanamine

C₈H₁₃N₃ — CID 157048519

About 1-(2-ethenyl-3-methylimidazol-4-yl)-N-methylmethanamine

1-(2-ethenyl-3-methylimidazol-4-yl)-N-methylmethanamine (PubChem CID 157048519) has the molecular formula C₈H₁₃N₃ and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-(2-ethenyl-3-methylimidazol-4-yl)-N-methylmethanamine.

Molecular Properties

• Compound Name: 1-(2-ethenyl-3-methylimidazol-4-yl)-N-methylmethanamine
• PubChem CID: 157048519
• Molecular Formula: C₈H₁₃N₃
• Molecular Weight: 151.21 g/mol
• Exact Mass: 151.11
• IUPAC Name: 1-(2-ethenyl-3-methylimidazol-4-yl)-N-methylmethanamine
• SMILES: C=Cc1ncc(CNC)n1C
• InChI: InChI=1S/C8H13N3/c1-4-8-10-6-7(5-9-2)11(8)3/h4,6,9H,1,5H2,2-3H3
• InChIKey: DBCJSEQZAPZYCM-UHFFFAOYSA-N
• XLogP: 0.78
• TPSA: 29.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	151.21
LogP ≤ 5	0.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenyl-3-methylimidazol-4-yl)-N-methylmethanamine?

The IUPAC name of 1-(2-ethenyl-3-methylimidazol-4-yl)-N-methylmethanamine (CID 157048519) is 1-(2-ethenyl-3-methylimidazol-4-yl)-N-methylmethanamine.

What is the SMILES notation for 1-(2-ethenyl-3-methylimidazol-4-yl)-N-methylmethanamine?

The canonical SMILES for 1-(2-ethenyl-3-methylimidazol-4-yl)-N-methylmethanamine is C=Cc1ncc(CNC)n1C.

What is the InChIKey of 1-(2-ethenyl-3-methylimidazol-4-yl)-N-methylmethanamine?

The InChIKey is DBCJSEQZAPZYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-4-8-10-6-7(5-9-2)11(8)3/h4,6,9H,1,5H2,2-3H3.

What are the key properties of 1-(2-ethenyl-3-methylimidazol-4-yl)-N-methylmethanamine?

1-(2-ethenyl-3-methylimidazol-4-yl)-N-methylmethanamine has a molecular weight of 151.21 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-ethenyl-3-methylimidazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 157048519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157048519 — identifiers, structure, computed properties (public domain)

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