3-[(4-methoxy-1-methylcyclohexyl)methoxy]propan-1-amine

C₁₂H₂₅NO₂ — CID 121378923

About 3-[(4-methoxy-1-methylcyclohexyl)methoxy]propan-1-amine

3-[(4-methoxy-1-methylcyclohexyl)methoxy]propan-1-amine (PubChem CID 121378923) has the molecular formula C₁₂H₂₅NO₂ and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-[(4-methoxy-1-methylcyclohexyl)methoxy]propan-1-amine.

Molecular Properties

• Compound Name: 3-[(4-methoxy-1-methylcyclohexyl)methoxy]propan-1-amine
• PubChem CID: 121378923
• Molecular Formula: C₁₂H₂₅NO₂
• Molecular Weight: 215.34 g/mol
• Exact Mass: 215.19
• IUPAC Name: 3-[(4-methoxy-1-methylcyclohexyl)methoxy]propan-1-amine
• SMILES: COC1CCC(C)(COCCCN)CC1
• InChI: InChI=1S/C12H25NO2/c1-12(10-15-9-3-8-13)6-4-11(14-2)5-7-12/h11H,3-10,13H2,1-2H3
• InChIKey: RZTWVSMGQAUFNP-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 44.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	215.34
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-1-methylcyclohexyl)methoxy]propan-1-amine?

The IUPAC name of 3-[(4-methoxy-1-methylcyclohexyl)methoxy]propan-1-amine (CID 121378923) is 3-[(4-methoxy-1-methylcyclohexyl)methoxy]propan-1-amine.

What is the SMILES notation for 3-[(4-methoxy-1-methylcyclohexyl)methoxy]propan-1-amine?

The canonical SMILES for 3-[(4-methoxy-1-methylcyclohexyl)methoxy]propan-1-amine is COC1CCC(C)(COCCCN)CC1.

What is the InChIKey of 3-[(4-methoxy-1-methylcyclohexyl)methoxy]propan-1-amine?

The InChIKey is RZTWVSMGQAUFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-12(10-15-9-3-8-13)6-4-11(14-2)5-7-12/h11H,3-10,13H2,1-2H3.

What are the key properties of 3-[(4-methoxy-1-methylcyclohexyl)methoxy]propan-1-amine?

3-[(4-methoxy-1-methylcyclohexyl)methoxy]propan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4-methoxy-1-methylcyclohexyl)methoxy]propan-1-amine is sourced from PubChem (CID 121378923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121378923 — identifiers, structure, computed properties (public domain)

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