(1S)-1-(2-adamantyl)ethanamine

C₁₂H₂₁N — CID 151459315

About (1S)-1-(2-adamantyl)ethanamine

(1S)-1-(2-adamantyl)ethanamine (PubChem CID 151459315) has the molecular formula C₁₂H₂₁N and a molecular weight of 179.31 g/mol. Its IUPAC name is (1S)-1-(2-adamantyl)ethanamine.

Molecular Properties

• Compound Name: (1S)-1-(2-adamantyl)ethanamine
• PubChem CID: 151459315
• Molecular Formula: C₁₂H₂₁N
• Molecular Weight: 179.31 g/mol
• Exact Mass: 179.17
• IUPAC Name: (1S)-1-(2-adamantyl)ethanamine
• SMILES: C[C@H](N)C1C2CC3CC(C2)CC1C3
• InChI: InChI=1S/C12H21N/c1-7(13)12-10-3-8-2-9(5-10)6-11(12)4-8/h7-12H,2-6,13H2,1H3/t7-,8?,9?,10?,11?,12?/m0/s1
• InChIKey: PICSDNCRMCZSLV-ZJGSIPCCSA-N
• XLogP: 2.41
• TPSA: 26.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	179.31
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-adamantyl)ethanamine?

The IUPAC name of (1S)-1-(2-adamantyl)ethanamine (CID 151459315) is (1S)-1-(2-adamantyl)ethanamine.

What is the SMILES notation for (1S)-1-(2-adamantyl)ethanamine?

The canonical SMILES for (1S)-1-(2-adamantyl)ethanamine is C[C@H](N)C1C2CC3CC(C2)CC1C3.

What is the InChIKey of (1S)-1-(2-adamantyl)ethanamine?

The InChIKey is PICSDNCRMCZSLV-ZJGSIPCCSA-N. The full InChI is InChI=1S/C12H21N/c1-7(13)12-10-3-8-2-9(5-10)6-11(12)4-8/h7-12H,2-6,13H2,1H3/t7-,8?,9?,10?,11?,12?/m0/s1.

What are the key properties of (1S)-1-(2-adamantyl)ethanamine?

(1S)-1-(2-adamantyl)ethanamine has a molecular weight of 179.31 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1-(2-adamantyl)ethanamine is sourced from PubChem (CID 151459315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151459315 — identifiers, structure, computed properties (public domain)

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