[2-[(E)-C-methyl-N-(methylamino)carbonimidoyl]phenyl]methanamine

C₁₀H₁₅N₃ — CID 163257031

About [2-[(E)-C-methyl-N-(methylamino)carbonimidoyl]phenyl]methanamine

[2-[(E)-C-methyl-N-(methylamino)carbonimidoyl]phenyl]methanamine (PubChem CID 163257031) has the molecular formula C₁₀H₁₅N₃ and a molecular weight of 177.25 g/mol. Its IUPAC name is [2-[(E)-C-methyl-N-(methylamino)carbonimidoyl]phenyl]methanamine.

Molecular Properties

• Compound Name: [2-[(E)-C-methyl-N-(methylamino)carbonimidoyl]phenyl]methanamine
• PubChem CID: 163257031
• Molecular Formula: C₁₀H₁₅N₃
• Molecular Weight: 177.25 g/mol
• Exact Mass: 177.13
• IUPAC Name: [2-[(E)-C-methyl-N-(methylamino)carbonimidoyl]phenyl]methanamine
• SMILES: CN/N=C(\C)c1ccccc1CN
• InChI: InChI=1S/C10H15N3/c1-8(13-12-2)10-6-4-3-5-9(10)7-11/h3-6,12H,7,11H2,1-2H3/b13-8+
• InChIKey: SPTXTFLYUACICT-MDWZMJQESA-N
• XLogP: 1.09
• TPSA: 50.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	177.25
LogP ≤ 5	1.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[(E)-C-methyl-N-(methylamino)carbonimidoyl]phenyl]methanamine?

The IUPAC name of [2-[(E)-C-methyl-N-(methylamino)carbonimidoyl]phenyl]methanamine (CID 163257031) is [2-[(E)-C-methyl-N-(methylamino)carbonimidoyl]phenyl]methanamine.

What is the SMILES notation for [2-[(E)-C-methyl-N-(methylamino)carbonimidoyl]phenyl]methanamine?

The canonical SMILES for [2-[(E)-C-methyl-N-(methylamino)carbonimidoyl]phenyl]methanamine is CN/N=C(\C)c1ccccc1CN.

What is the InChIKey of [2-[(E)-C-methyl-N-(methylamino)carbonimidoyl]phenyl]methanamine?

The InChIKey is SPTXTFLYUACICT-MDWZMJQESA-N. The full InChI is InChI=1S/C10H15N3/c1-8(13-12-2)10-6-4-3-5-9(10)7-11/h3-6,12H,7,11H2,1-2H3/b13-8+.

What are the key properties of [2-[(E)-C-methyl-N-(methylamino)carbonimidoyl]phenyl]methanamine?

[2-[(E)-C-methyl-N-(methylamino)carbonimidoyl]phenyl]methanamine has a molecular weight of 177.25 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(E)-C-methyl-N-(methylamino)carbonimidoyl]phenyl]methanamine is sourced from PubChem (CID 163257031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 163257031 — identifiers, structure, computed properties (public domain)

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