4-Methylaniline;1-methylimidazolidine

C₁₁H₁₉N₃ — CID 142077719

About 4-Methylaniline;1-methylimidazolidine

4-Methylaniline;1-methylimidazolidine (PubChem CID 142077719) has the molecular formula C₁₁H₁₉N₃ and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-methylaniline;1-methylimidazolidine.

Molecular Properties

• Compound Name: 4-Methylaniline;1-methylimidazolidine
• PubChem CID: 142077719
• Molecular Formula: C₁₁H₁₉N₃
• Molecular Weight: 193.29 g/mol
• Exact Mass: 193.16
• IUPAC Name: 4-methylaniline;1-methylimidazolidine
• SMILES: CN1CCNC1.Cc1ccc(N)cc1
• InChI: InChI=1S/C7H9N.C4H10N2/c1-6-2-4-7(8)5-3-6;1-6-3-2-5-4-6/h2-5H,8H2,1H3;5H,2-4H2,1H3
• InChIKey: DAJQEACXTMCDBA-UHFFFAOYSA-N
• XLogP: 1.06
• TPSA: 41.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	193.29
LogP ≤ 5	1.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-Methylaniline;1-methylimidazolidine?

The IUPAC name of 4-Methylaniline;1-methylimidazolidine (CID 142077719) is 4-methylaniline;1-methylimidazolidine.

What is the SMILES notation for 4-Methylaniline;1-methylimidazolidine?

The canonical SMILES for 4-Methylaniline;1-methylimidazolidine is CN1CCNC1.Cc1ccc(N)cc1.

What is the InChIKey of 4-Methylaniline;1-methylimidazolidine?

The InChIKey is DAJQEACXTMCDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C4H10N2/c1-6-2-4-7(8)5-3-6;1-6-3-2-5-4-6/h2-5H,8H2,1H3;5H,2-4H2,1H3.

What are the key properties of 4-Methylaniline;1-methylimidazolidine?

4-Methylaniline;1-methylimidazolidine has a molecular weight of 193.29 g/mol, XLogP of 1.06, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-Methylaniline;1-methylimidazolidine is sourced from PubChem (CID 142077719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142077719 — identifiers, structure, computed properties (public domain)

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