2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine

C₁₀H₁₇NO — CID 102647881

About 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine

2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine (PubChem CID 102647881) has the molecular formula C₁₀H₁₇NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine.

Molecular Properties

• Compound Name: 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
• PubChem CID: 102647881
• Molecular Formula: C₁₀H₁₇NO
• Molecular Weight: 167.25 g/mol
• Exact Mass: 167.13
• IUPAC Name: 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
• SMILES: NC(CC1CC1)C1=CCCCO1
• InChI: InChI=1S/C10H17NO/c11-9(7-8-4-5-8)10-3-1-2-6-12-10/h3,8-9H,1-2,4-7,11H2
• InChIKey: QDECVPAITBWMGJ-UHFFFAOYSA-N
• XLogP: 1.81
• TPSA: 35.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	167.25
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine?

The IUPAC name of 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine (CID 102647881) is 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine.

What is the SMILES notation for 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine?

The canonical SMILES for 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine is NC(CC1CC1)C1=CCCCO1.

What is the InChIKey of 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine?

The InChIKey is QDECVPAITBWMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c11-9(7-8-4-5-8)10-3-1-2-6-12-10/h3,8-9H,1-2,4-7,11H2.

What are the key properties of 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine?

2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine has a molecular weight of 167.25 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine is sourced from PubChem (CID 102647881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 102647881 — identifiers, structure, computed properties (public domain)

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