(1-methyl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride

C₅H₁₃Cl₂N₃ — CID 126796968

About (1-methyl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride

(1-methyl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride (PubChem CID 126796968) has the molecular formula C₅H₁₃Cl₂N₃ and a molecular weight of 186.09 g/mol. Its IUPAC name is (1-methyl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride.

Molecular Properties

• Compound Name: (1-methyl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride
• PubChem CID: 126796968
• Molecular Formula: C₅H₁₃Cl₂N₃
• Molecular Weight: 186.09 g/mol
• Exact Mass: 185.05
• IUPAC Name: (1-methyl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride
• SMILES: CN1CCN=C1CN.Cl.Cl
• InChI: InChI=1S/C5H11N3.2ClH/c1-8-3-2-7-5(8)4-6;;/h2-4,6H2,1H3;2*1H
• InChIKey: DQOXOEOBZZEJTF-UHFFFAOYSA-N
• XLogP: 0.13
• TPSA: 41.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	186.09
LogP ≤ 5	0.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (1-methyl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride?

The IUPAC name of (1-methyl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride (CID 126796968) is (1-methyl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride.

What is the SMILES notation for (1-methyl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride?

The canonical SMILES for (1-methyl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride is CN1CCN=C1CN.Cl.Cl.

What is the InChIKey of (1-methyl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride?

The InChIKey is DQOXOEOBZZEJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3.2ClH/c1-8-3-2-7-5(8)4-6;;/h2-4,6H2,1H3;2*1H.

What are the key properties of (1-methyl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride?

(1-methyl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride has a molecular weight of 186.09 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (1-methyl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride is sourced from PubChem (CID 126796968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 126796968 — identifiers, structure, computed properties (public domain)

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