(2R)-5-amino-6-methylideneoctan-2-ol

C₉H₁₉NO — CID 145401107

About (2R)-5-amino-6-methylideneoctan-2-ol

(2R)-5-amino-6-methylideneoctan-2-ol (PubChem CID 145401107) has the molecular formula C₉H₁₉NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (2R)-5-amino-6-methylideneoctan-2-ol.

Molecular Properties

• Compound Name: (2R)-5-amino-6-methylideneoctan-2-ol
• PubChem CID: 145401107
• Molecular Formula: C₉H₁₉NO
• Molecular Weight: 157.26 g/mol
• Exact Mass: 157.15
• IUPAC Name: (2R)-5-amino-6-methylideneoctan-2-ol
• SMILES: C=C(CC)C(N)CC[C@@H](C)O
• InChI: InChI=1S/C9H19NO/c1-4-7(2)9(10)6-5-8(3)11/h8-9,11H,2,4-6,10H2,1,3H3/t8-,9?/m1/s1
• InChIKey: AFPJCVJTOKEOLP-VEDVMXKPSA-N
• XLogP: 1.44
• TPSA: 46.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	157.26
LogP ≤ 5	1.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-6-methylideneoctan-2-ol?

The IUPAC name of (2R)-5-amino-6-methylideneoctan-2-ol (CID 145401107) is (2R)-5-amino-6-methylideneoctan-2-ol.

What is the SMILES notation for (2R)-5-amino-6-methylideneoctan-2-ol?

The canonical SMILES for (2R)-5-amino-6-methylideneoctan-2-ol is C=C(CC)C(N)CC[C@@H](C)O.

What is the InChIKey of (2R)-5-amino-6-methylideneoctan-2-ol?

The InChIKey is AFPJCVJTOKEOLP-VEDVMXKPSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-7(2)9(10)6-5-8(3)11/h8-9,11H,2,4-6,10H2,1,3H3/t8-,9?/m1/s1.

What are the key properties of (2R)-5-amino-6-methylideneoctan-2-ol?

(2R)-5-amino-6-methylideneoctan-2-ol has a molecular weight of 157.26 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-5-amino-6-methylideneoctan-2-ol is sourced from PubChem (CID 145401107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 145401107 — identifiers, structure, computed properties (public domain)

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