[(2R,4S)-4-methyloxolan-2-yl]methanamine

C₆H₁₃NO — CID 124578103

About [(2R,4S)-4-methyloxolan-2-yl]methanamine

[(2R,4S)-4-methyloxolan-2-yl]methanamine (PubChem CID 124578103) has the molecular formula C₆H₁₃NO and a molecular weight of 115.18 g/mol. Its IUPAC name is [(2R,4S)-4-methyloxolan-2-yl]methanamine.

Molecular Properties

• Compound Name: [(2R,4S)-4-methyloxolan-2-yl]methanamine
• PubChem CID: 124578103
• Molecular Formula: C₆H₁₃NO
• Molecular Weight: 115.18 g/mol
• Exact Mass: 115.10
• IUPAC Name: [(2R,4S)-4-methyloxolan-2-yl]methanamine
• SMILES: C[C@@H]1CO[C@@H](CN)C1
• InChI: InChI=1S/C6H13NO/c1-5-2-6(3-7)8-4-5/h5-6H,2-4,7H2,1H3/t5-,6+/m0/s1
• InChIKey: UEKXFVCDYQNMAC-NTSWFWBYSA-N
• XLogP: 0.37
• TPSA: 35.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	115.18
LogP ≤ 5	0.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-4-methyloxolan-2-yl]methanamine?

The IUPAC name of [(2R,4S)-4-methyloxolan-2-yl]methanamine (CID 124578103) is [(2R,4S)-4-methyloxolan-2-yl]methanamine.

What is the SMILES notation for [(2R,4S)-4-methyloxolan-2-yl]methanamine?

The canonical SMILES for [(2R,4S)-4-methyloxolan-2-yl]methanamine is C[C@@H]1CO[C@@H](CN)C1.

What is the InChIKey of [(2R,4S)-4-methyloxolan-2-yl]methanamine?

The InChIKey is UEKXFVCDYQNMAC-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H13NO/c1-5-2-6(3-7)8-4-5/h5-6H,2-4,7H2,1H3/t5-,6+/m0/s1.

What are the key properties of [(2R,4S)-4-methyloxolan-2-yl]methanamine?

[(2R,4S)-4-methyloxolan-2-yl]methanamine has a molecular weight of 115.18 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,4S)-4-methyloxolan-2-yl]methanamine is sourced from PubChem (CID 124578103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 124578103 — identifiers, structure, computed properties (public domain)

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