N-methyl-1-(2-methylidenepiperazin-1-yl)methanimine

C₇H₁₃N₃ — CID 143325168

About N-methyl-1-(2-methylidenepiperazin-1-yl)methanimine

N-methyl-1-(2-methylidenepiperazin-1-yl)methanimine (PubChem CID 143325168) has the molecular formula C₇H₁₃N₃ and a molecular weight of 139.20 g/mol. Its IUPAC name is N-methyl-1-(2-methylidenepiperazin-1-yl)methanimine.

Molecular Properties

• Compound Name: N-methyl-1-(2-methylidenepiperazin-1-yl)methanimine
• PubChem CID: 143325168
• Molecular Formula: C₇H₁₃N₃
• Molecular Weight: 139.20 g/mol
• Exact Mass: 139.11
• IUPAC Name: N-methyl-1-(2-methylidenepiperazin-1-yl)methanimine
• SMILES: C=C1CNCCN1/C=N/C
• InChI: InChI=1S/C7H13N3/c1-7-5-9-3-4-10(7)6-8-2/h6,9H,1,3-5H2,2H3/b8-6+
• InChIKey: CHHUZTDBZSIDMP-SOFGYWHQSA-N
• XLogP: 0.06
• TPSA: 27.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	139.20
LogP ≤ 5	0.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylidenepiperazin-1-yl)methanimine?

The IUPAC name of N-methyl-1-(2-methylidenepiperazin-1-yl)methanimine (CID 143325168) is N-methyl-1-(2-methylidenepiperazin-1-yl)methanimine.

What is the SMILES notation for N-methyl-1-(2-methylidenepiperazin-1-yl)methanimine?

The canonical SMILES for N-methyl-1-(2-methylidenepiperazin-1-yl)methanimine is C=C1CNCCN1/C=N/C.

What is the InChIKey of N-methyl-1-(2-methylidenepiperazin-1-yl)methanimine?

The InChIKey is CHHUZTDBZSIDMP-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H13N3/c1-7-5-9-3-4-10(7)6-8-2/h6,9H,1,3-5H2,2H3/b8-6+.

What are the key properties of N-methyl-1-(2-methylidenepiperazin-1-yl)methanimine?

N-methyl-1-(2-methylidenepiperazin-1-yl)methanimine has a molecular weight of 139.20 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-1-(2-methylidenepiperazin-1-yl)methanimine is sourced from PubChem (CID 143325168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143325168 — identifiers, structure, computed properties (public domain)

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