2-(3-methoxypropoxymethyl)-N-propan-2-ylprop-2-en-1-amine

C₁₁H₂₃NO₂ — CID 103074661

About 2-(3-methoxypropoxymethyl)-N-propan-2-ylprop-2-en-1-amine

2-(3-methoxypropoxymethyl)-N-propan-2-ylprop-2-en-1-amine (PubChem CID 103074661) has the molecular formula C₁₁H₂₃NO₂ and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-(3-methoxypropoxymethyl)-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

• Compound Name: 2-(3-methoxypropoxymethyl)-N-propan-2-ylprop-2-en-1-amine
• PubChem CID: 103074661
• Molecular Formula: C₁₁H₂₃NO₂
• Molecular Weight: 201.31 g/mol
• Exact Mass: 201.17
• IUPAC Name: 2-(3-methoxypropoxymethyl)-N-propan-2-ylprop-2-en-1-amine
• SMILES: C=C(CNC(C)C)COCCCOC
• InChI: InChI=1S/C11H23NO2/c1-10(2)12-8-11(3)9-14-7-5-6-13-4/h10,12H,3,5-9H2,1-2,4H3
• InChIKey: WRSLIXCNTKVFDW-UHFFFAOYSA-N
• XLogP: 1.59
• TPSA: 30.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	201.31
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropoxymethyl)-N-propan-2-ylprop-2-en-1-amine?

The IUPAC name of 2-(3-methoxypropoxymethyl)-N-propan-2-ylprop-2-en-1-amine (CID 103074661) is 2-(3-methoxypropoxymethyl)-N-propan-2-ylprop-2-en-1-amine.

What is the SMILES notation for 2-(3-methoxypropoxymethyl)-N-propan-2-ylprop-2-en-1-amine?

The canonical SMILES for 2-(3-methoxypropoxymethyl)-N-propan-2-ylprop-2-en-1-amine is C=C(CNC(C)C)COCCCOC.

What is the InChIKey of 2-(3-methoxypropoxymethyl)-N-propan-2-ylprop-2-en-1-amine?

The InChIKey is WRSLIXCNTKVFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-10(2)12-8-11(3)9-14-7-5-6-13-4/h10,12H,3,5-9H2,1-2,4H3.

What are the key properties of 2-(3-methoxypropoxymethyl)-N-propan-2-ylprop-2-en-1-amine?

2-(3-methoxypropoxymethyl)-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 201.31 g/mol, XLogP of 1.59, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methoxypropoxymethyl)-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 103074661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 103074661 — identifiers, structure, computed properties (public domain)

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