N,N'-dimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine

C₁₅H₂₆N₂ — CID 116949515

About N,N'-dimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine

N,N'-dimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine (PubChem CID 116949515) has the molecular formula C₁₅H₂₆N₂ and a molecular weight of 234.39 g/mol. Its IUPAC name is N,N'-dimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine.

Molecular Properties

• Compound Name: N,N'-dimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
• PubChem CID: 116949515
• Molecular Formula: C₁₅H₂₆N₂
• Molecular Weight: 234.39 g/mol
• Exact Mass: 234.21
• IUPAC Name: N,N'-dimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
• SMILES: CNCCCC(NC)c1ccc(C)c(C)c1C
• InChI: InChI=1S/C15H26N2/c1-11-8-9-14(13(3)12(11)2)15(17-5)7-6-10-16-4/h8-9,15-17H,6-7,10H2,1-5H3
• InChIKey: UVZNIFQHKBJPAW-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 24.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	234.39
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine?

The IUPAC name of N,N'-dimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine (CID 116949515) is N,N'-dimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine.

What is the SMILES notation for N,N'-dimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine?

The canonical SMILES for N,N'-dimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine is CNCCCC(NC)c1ccc(C)c(C)c1C.

What is the InChIKey of N,N'-dimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine?

The InChIKey is UVZNIFQHKBJPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-11-8-9-14(13(3)12(11)2)15(17-5)7-6-10-16-4/h8-9,15-17H,6-7,10H2,1-5H3.

What are the key properties of N,N'-dimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine?

N,N'-dimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N,N'-dimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine is sourced from PubChem (CID 116949515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 116949515 — identifiers, structure, computed properties (public domain)

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