N-(1-cyclohexylethenyl)-2-methylpropan-2-amine

C₁₂H₂₃N — CID 139362557

About N-(1-cyclohexylethenyl)-2-methylpropan-2-amine

N-(1-cyclohexylethenyl)-2-methylpropan-2-amine (PubChem CID 139362557) has the molecular formula C₁₂H₂₃N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-(1-cyclohexylethenyl)-2-methylpropan-2-amine.

Molecular Properties

• Compound Name: N-(1-cyclohexylethenyl)-2-methylpropan-2-amine
• PubChem CID: 139362557
• Molecular Formula: C₁₂H₂₃N
• Molecular Weight: 181.32 g/mol
• Exact Mass: 181.18
• IUPAC Name: N-(1-cyclohexylethenyl)-2-methylpropan-2-amine
• SMILES: C=C(NC(C)(C)C)C1CCCCC1
• InChI: InChI=1S/C12H23N/c1-10(13-12(2,3)4)11-8-6-5-7-9-11/h11,13H,1,5-9H2,2-4H3
• InChIKey: XZWPUAKJUQUEBW-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	181.32
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethenyl)-2-methylpropan-2-amine?

The IUPAC name of N-(1-cyclohexylethenyl)-2-methylpropan-2-amine (CID 139362557) is N-(1-cyclohexylethenyl)-2-methylpropan-2-amine.

What is the SMILES notation for N-(1-cyclohexylethenyl)-2-methylpropan-2-amine?

The canonical SMILES for N-(1-cyclohexylethenyl)-2-methylpropan-2-amine is C=C(NC(C)(C)C)C1CCCCC1.

What is the InChIKey of N-(1-cyclohexylethenyl)-2-methylpropan-2-amine?

The InChIKey is XZWPUAKJUQUEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-10(13-12(2,3)4)11-8-6-5-7-9-11/h11,13H,1,5-9H2,2-4H3.

What are the key properties of N-(1-cyclohexylethenyl)-2-methylpropan-2-amine?

N-(1-cyclohexylethenyl)-2-methylpropan-2-amine has a molecular weight of 181.32 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyclohexylethenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 139362557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139362557 — identifiers, structure, computed properties (public domain)

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