2-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile

C₁₅H₂₂N₄ — CID 105414204

About 2-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile

2-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile (PubChem CID 105414204) has the molecular formula C₁₅H₂₂N₄ and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile.

Molecular Properties

• Compound Name: 2-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile
• PubChem CID: 105414204
• Molecular Formula: C₁₅H₂₂N₄
• Molecular Weight: 258.37 g/mol
• Exact Mass: 258.18
• IUPAC Name: 2-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile
• SMILES: CN(CC1(N(C)C)CCC1)c1ccc(N)c(C#N)c1
• InChI: InChI=1S/C15H22N4/c1-18(2)15(7-4-8-15)11-19(3)13-5-6-14(17)12(9-13)10-16/h5-6,9H,4,7-8,11,17H2,1-3H3
• InChIKey: YYXYZGQLMIIZPR-UHFFFAOYSA-N
• XLogP: 2.06
• TPSA: 56.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	258.37
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile?

The IUPAC name of 2-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile (CID 105414204) is 2-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile.

What is the SMILES notation for 2-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile?

The canonical SMILES for 2-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile is CN(CC1(N(C)C)CCC1)c1ccc(N)c(C#N)c1.

What is the InChIKey of 2-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile?

The InChIKey is YYXYZGQLMIIZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-18(2)15(7-4-8-15)11-19(3)13-5-6-14(17)12(9-13)10-16/h5-6,9H,4,7-8,11,17H2,1-3H3.

What are the key properties of 2-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile?

2-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile has a molecular weight of 258.37 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile is sourced from PubChem (CID 105414204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 105414204 — identifiers, structure, computed properties (public domain)

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