Heptaminol

C₈H₁₉NO — CID 3590

About Heptaminol

Heptaminol (PubChem CID 3590) has the molecular formula C₈H₁₉NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 6-amino-2-methylheptan-2-ol.

Molecular Properties

• Compound Name: Heptaminol
• PubChem CID: 3590
• Molecular Formula: C₈H₁₉NO
• Molecular Weight: 145.25 g/mol
• Exact Mass: 145.15
• IUPAC Name: 6-amino-2-methylheptan-2-ol
• SMILES: CC(N)CCCC(C)(C)O
• InChI: InChI=1S/C8H19NO/c1-7(9)5-4-6-8(2,3)10/h7,10H,4-6,9H2,1-3H3
• InChIKey: LREQLEBVOXIEOM-UHFFFAOYSA-N
• XLogP: 1.27
• TPSA: 46.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	145.25
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Heptaminol?

The IUPAC name of Heptaminol (CID 3590) is 6-amino-2-methylheptan-2-ol.

What is the SMILES notation for Heptaminol?

The canonical SMILES for Heptaminol is CC(N)CCCC(C)(C)O.

What is the InChIKey of Heptaminol?

The InChIKey is LREQLEBVOXIEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-7(9)5-4-6-8(2,3)10/h7,10H,4-6,9H2,1-3H3.

What are the key properties of Heptaminol?

Heptaminol has a molecular weight of 145.25 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Heptaminol is sourced from PubChem (CID 3590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3590 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1361 — approved-drug record (CC BY-SA 4.0)

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