1-(cyclohepten-1-yl)-N-methyl-2-pyridin-4-ylethanamine

C₁₅H₂₂N₂ — CID 106652784

About 1-(cyclohepten-1-yl)-N-methyl-2-pyridin-4-ylethanamine

1-(cyclohepten-1-yl)-N-methyl-2-pyridin-4-ylethanamine (PubChem CID 106652784) has the molecular formula C₁₅H₂₂N₂ and a molecular weight of 230.36 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-N-methyl-2-pyridin-4-ylethanamine.

Molecular Properties

• Compound Name: 1-(cyclohepten-1-yl)-N-methyl-2-pyridin-4-ylethanamine
• PubChem CID: 106652784
• Molecular Formula: C₁₅H₂₂N₂
• Molecular Weight: 230.36 g/mol
• Exact Mass: 230.18
• IUPAC Name: 1-(cyclohepten-1-yl)-N-methyl-2-pyridin-4-ylethanamine
• SMILES: CNC(Cc1ccncc1)C1=CCCCCC1
• InChI: InChI=1S/C15H22N2/c1-16-15(12-13-8-10-17-11-9-13)14-6-4-2-3-5-7-14/h6,8-11,15-16H,2-5,7,12H2,1H3
• InChIKey: ZLKXDHSTDPBMBJ-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 24.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	230.36
LogP ≤ 5	3.10
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 1-(cyclohepten-1-yl)-N-methyl-2-pyridin-4-ylethanamine?

The IUPAC name of 1-(cyclohepten-1-yl)-N-methyl-2-pyridin-4-ylethanamine (CID 106652784) is 1-(cyclohepten-1-yl)-N-methyl-2-pyridin-4-ylethanamine.

What is the SMILES notation for 1-(cyclohepten-1-yl)-N-methyl-2-pyridin-4-ylethanamine?

The canonical SMILES for 1-(cyclohepten-1-yl)-N-methyl-2-pyridin-4-ylethanamine is CNC(Cc1ccncc1)C1=CCCCCC1.

What is the InChIKey of 1-(cyclohepten-1-yl)-N-methyl-2-pyridin-4-ylethanamine?

The InChIKey is ZLKXDHSTDPBMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-16-15(12-13-8-10-17-11-9-13)14-6-4-2-3-5-7-14/h6,8-11,15-16H,2-5,7,12H2,1H3.

What are the key properties of 1-(cyclohepten-1-yl)-N-methyl-2-pyridin-4-ylethanamine?

1-(cyclohepten-1-yl)-N-methyl-2-pyridin-4-ylethanamine has a molecular weight of 230.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclohepten-1-yl)-N-methyl-2-pyridin-4-ylethanamine is sourced from PubChem (CID 106652784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 106652784 — identifiers, structure, computed properties (public domain)

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