4-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine

C₁₀H₂₁NO — CID 105163008

About 4-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine

4-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine (PubChem CID 105163008) has the molecular formula C₁₀H₂₁NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine.

Molecular Properties

• Compound Name: 4-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine
• PubChem CID: 105163008
• Molecular Formula: C₁₀H₂₁NO
• Molecular Weight: 171.28 g/mol
• Exact Mass: 171.16
• IUPAC Name: 4-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine
• SMILES: C=C(C)CC(N)COC(C)(C)C
• InChI: InChI=1S/C10H21NO/c1-8(2)6-9(11)7-12-10(3,4)5/h9H,1,6-7,11H2,2-5H3
• InChIKey: SMIPONOCRWDGMK-UHFFFAOYSA-N
• XLogP: 2.10
• TPSA: 35.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	171.28
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	1
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 4-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine?

The IUPAC name of 4-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine (CID 105163008) is 4-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine.

What is the SMILES notation for 4-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine?

The canonical SMILES for 4-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine is C=C(C)CC(N)COC(C)(C)C.

What is the InChIKey of 4-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine?

The InChIKey is SMIPONOCRWDGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)6-9(11)7-12-10(3,4)5/h9H,1,6-7,11H2,2-5H3.

What are the key properties of 4-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine?

4-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine has a molecular weight of 171.28 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine is sourced from PubChem (CID 105163008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 105163008 — identifiers, structure, computed properties (public domain)

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