N-[1-(4-fluoro-4-methylcyclohexyl)-2-methylprop-2-enyl]-5-methylhex-1-en-2-amine

C₁₈H₃₂FN — CID 142110250

About N-[1-(4-fluoro-4-methylcyclohexyl)-2-methylprop-2-enyl]-5-methylhex-1-en-2-amine

N-[1-(4-fluoro-4-methylcyclohexyl)-2-methylprop-2-enyl]-5-methylhex-1-en-2-amine (PubChem CID 142110250) has the molecular formula C₁₈H₃₂FN and a molecular weight of 281.46 g/mol. Its IUPAC name is N-[1-(4-fluoro-4-methylcyclohexyl)-2-methylprop-2-enyl]-5-methylhex-1-en-2-amine.

Molecular Properties

• Compound Name: N-[1-(4-fluoro-4-methylcyclohexyl)-2-methylprop-2-enyl]-5-methylhex-1-en-2-amine
• PubChem CID: 142110250
• Molecular Formula: C₁₈H₃₂FN
• Molecular Weight: 281.46 g/mol
• Exact Mass: 281.25
• IUPAC Name: N-[1-(4-fluoro-4-methylcyclohexyl)-2-methylprop-2-enyl]-5-methylhex-1-en-2-amine
• SMILES: C=C(CCC(C)C)NC(C(=C)C)C1CCC(C)(F)CC1
• InChI: InChI=1S/C18H32FN/c1-13(2)7-8-15(5)20-17(14(3)4)16-9-11-18(6,19)12-10-16/h13,16-17,20H,3,5,7-12H2,1-2,4,6H3
• InChIKey: NPSJXNYERXRJIR-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	281.46
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluoro-4-methylcyclohexyl)-2-methylprop-2-enyl]-5-methylhex-1-en-2-amine?

The IUPAC name of N-[1-(4-fluoro-4-methylcyclohexyl)-2-methylprop-2-enyl]-5-methylhex-1-en-2-amine (CID 142110250) is N-[1-(4-fluoro-4-methylcyclohexyl)-2-methylprop-2-enyl]-5-methylhex-1-en-2-amine.

What is the SMILES notation for N-[1-(4-fluoro-4-methylcyclohexyl)-2-methylprop-2-enyl]-5-methylhex-1-en-2-amine?

The canonical SMILES for N-[1-(4-fluoro-4-methylcyclohexyl)-2-methylprop-2-enyl]-5-methylhex-1-en-2-amine is C=C(CCC(C)C)NC(C(=C)C)C1CCC(C)(F)CC1.

What is the InChIKey of N-[1-(4-fluoro-4-methylcyclohexyl)-2-methylprop-2-enyl]-5-methylhex-1-en-2-amine?

The InChIKey is NPSJXNYERXRJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32FN/c1-13(2)7-8-15(5)20-17(14(3)4)16-9-11-18(6,19)12-10-16/h13,16-17,20H,3,5,7-12H2,1-2,4,6H3.

What are the key properties of N-[1-(4-fluoro-4-methylcyclohexyl)-2-methylprop-2-enyl]-5-methylhex-1-en-2-amine?

N-[1-(4-fluoro-4-methylcyclohexyl)-2-methylprop-2-enyl]-5-methylhex-1-en-2-amine has a molecular weight of 281.46 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-fluoro-4-methylcyclohexyl)-2-methylprop-2-enyl]-5-methylhex-1-en-2-amine is sourced from PubChem (CID 142110250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142110250 — identifiers, structure, computed properties (public domain)

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