Sulfuric acid;2,4,4-trimethylpentan-2-amine

C₈H₂₁NO₄S — CID 87088849

About Sulfuric acid;2,4,4-trimethylpentan-2-amine

Sulfuric acid;2,4,4-trimethylpentan-2-amine (PubChem CID 87088849) has the molecular formula C₈H₂₁NO₄S and a molecular weight of 227.33 g/mol. Its IUPAC name is sulfuric acid;2,4,4-trimethylpentan-2-amine.

Molecular Properties

• Compound Name: Sulfuric acid;2,4,4-trimethylpentan-2-amine
• PubChem CID: 87088849
• Molecular Formula: C₈H₂₁NO₄S
• Molecular Weight: 227.33 g/mol
• Exact Mass: 227.12
• IUPAC Name: sulfuric acid;2,4,4-trimethylpentan-2-amine
• SMILES: CC(C)(C)CC(C)(C)N.O=S(=O)(O)O
• InChI: InChI=1S/C8H19N.H2O4S/c1-7(2,3)6-8(4,5)9;1-5(2,3)4/h6,9H2,1-5H3;(H2,1,2,3,4)
• InChIKey: UBXMYQDGMQPIOM-UHFFFAOYSA-N
• XLogP: 1.51
• TPSA: 100.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	227.33
LogP ≤ 5	1.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Sulfuric acid;2,4,4-trimethylpentan-2-amine?

The IUPAC name of Sulfuric acid;2,4,4-trimethylpentan-2-amine (CID 87088849) is sulfuric acid;2,4,4-trimethylpentan-2-amine.

What is the SMILES notation for Sulfuric acid;2,4,4-trimethylpentan-2-amine?

The canonical SMILES for Sulfuric acid;2,4,4-trimethylpentan-2-amine is CC(C)(C)CC(C)(C)N.O=S(=O)(O)O.

What is the InChIKey of Sulfuric acid;2,4,4-trimethylpentan-2-amine?

The InChIKey is UBXMYQDGMQPIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.H2O4S/c1-7(2,3)6-8(4,5)9;1-5(2,3)4/h6,9H2,1-5H3;(H2,1,2,3,4).

What are the key properties of Sulfuric acid;2,4,4-trimethylpentan-2-amine?

Sulfuric acid;2,4,4-trimethylpentan-2-amine has a molecular weight of 227.33 g/mol, XLogP of 1.51, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Sulfuric acid;2,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 87088849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 87088849 — identifiers, structure, computed properties (public domain)

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