4,8-dimethylnaphthalene-1,5-diamine;ethane

C₁₆H₂₆N₂ — CID 143882753

About 4,8-dimethylnaphthalene-1,5-diamine;ethane

4,8-dimethylnaphthalene-1,5-diamine;ethane (PubChem CID 143882753) has the molecular formula C₁₆H₂₆N₂ and a molecular weight of 246.40 g/mol. Its IUPAC name is 4,8-dimethylnaphthalene-1,5-diamine;ethane.

Molecular Properties

• Compound Name: 4,8-dimethylnaphthalene-1,5-diamine;ethane
• PubChem CID: 143882753
• Molecular Formula: C₁₆H₂₆N₂
• Molecular Weight: 246.40 g/mol
• Exact Mass: 246.21
• IUPAC Name: 4,8-dimethylnaphthalene-1,5-diamine;ethane
• SMILES: CC.CC.Cc1ccc(N)c2c(C)ccc(N)c12
• InChI: InChI=1S/C12H14N2.2C2H6/c1-7-3-5-10(14)12-8(2)4-6-9(13)11(7)12;2*1-2/h3-6H,13-14H2,1-2H3;2*1-2H3
• InChIKey: UQHAECUTYMWIGE-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 52.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	246.40
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,8-dimethylnaphthalene-1,5-diamine;ethane?

The IUPAC name of 4,8-dimethylnaphthalene-1,5-diamine;ethane (CID 143882753) is 4,8-dimethylnaphthalene-1,5-diamine;ethane.

What is the SMILES notation for 4,8-dimethylnaphthalene-1,5-diamine;ethane?

The canonical SMILES for 4,8-dimethylnaphthalene-1,5-diamine;ethane is CC.CC.Cc1ccc(N)c2c(C)ccc(N)c12.

What is the InChIKey of 4,8-dimethylnaphthalene-1,5-diamine;ethane?

The InChIKey is UQHAECUTYMWIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.2C2H6/c1-7-3-5-10(14)12-8(2)4-6-9(13)11(7)12;2*1-2/h3-6H,13-14H2,1-2H3;2*1-2H3.

What are the key properties of 4,8-dimethylnaphthalene-1,5-diamine;ethane?

4,8-dimethylnaphthalene-1,5-diamine;ethane has a molecular weight of 246.40 g/mol, XLogP of 4.67, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4,8-dimethylnaphthalene-1,5-diamine;ethane is sourced from PubChem (CID 143882753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143882753 — identifiers, structure, computed properties (public domain)

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