(4-fluoro-6-methylcyclohex-3-en-1-yl)-dimethyl-propylazanium

C₁₂H₂₃FN+ — CID 123839803

About (4-fluoro-6-methylcyclohex-3-en-1-yl)-dimethyl-propylazanium

(4-fluoro-6-methylcyclohex-3-en-1-yl)-dimethyl-propylazanium (PubChem CID 123839803) has the molecular formula C₁₂H₂₃FN+ and a molecular weight of 200.32 g/mol. Its IUPAC name is (4-fluoro-6-methylcyclohex-3-en-1-yl)-dimethyl-propylazanium.

Molecular Properties

• Compound Name: (4-fluoro-6-methylcyclohex-3-en-1-yl)-dimethyl-propylazanium
• PubChem CID: 123839803
• Molecular Formula: C₁₂H₂₃FN+
• Molecular Weight: 200.32 g/mol
• Exact Mass: 200.18
• IUPAC Name: (4-fluoro-6-methylcyclohex-3-en-1-yl)-dimethyl-propylazanium
• SMILES: CCC[N+](C)(C)C1CC=C(F)CC1C
• InChI: InChI=1S/C12H23FN/c1-5-8-14(3,4)12-7-6-11(13)9-10(12)2/h6,10,12H,5,7-9H2,1-4H3/q+1
• InChIKey: ARMZWIPISSLVOO-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	200.32
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-6-methylcyclohex-3-en-1-yl)-dimethyl-propylazanium?

The IUPAC name of (4-fluoro-6-methylcyclohex-3-en-1-yl)-dimethyl-propylazanium (CID 123839803) is (4-fluoro-6-methylcyclohex-3-en-1-yl)-dimethyl-propylazanium.

What is the SMILES notation for (4-fluoro-6-methylcyclohex-3-en-1-yl)-dimethyl-propylazanium?

The canonical SMILES for (4-fluoro-6-methylcyclohex-3-en-1-yl)-dimethyl-propylazanium is CCC[N+](C)(C)C1CC=C(F)CC1C.

What is the InChIKey of (4-fluoro-6-methylcyclohex-3-en-1-yl)-dimethyl-propylazanium?

The InChIKey is ARMZWIPISSLVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN/c1-5-8-14(3,4)12-7-6-11(13)9-10(12)2/h6,10,12H,5,7-9H2,1-4H3/q+1.

What are the key properties of (4-fluoro-6-methylcyclohex-3-en-1-yl)-dimethyl-propylazanium?

(4-fluoro-6-methylcyclohex-3-en-1-yl)-dimethyl-propylazanium has a molecular weight of 200.32 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (4-fluoro-6-methylcyclohex-3-en-1-yl)-dimethyl-propylazanium is sourced from PubChem (CID 123839803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 123839803 — identifiers, structure, computed properties (public domain)

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