N,N',3-trimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide

C₁₂H₂₆IN₃ — CID 109490114

About N,N',3-trimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide

N,N',3-trimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 109490114) has the molecular formula C₁₂H₂₆IN₃ and a molecular weight of 339.27 g/mol. Its IUPAC name is N,N',3-trimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N,N',3-trimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
• PubChem CID: 109490114
• Molecular Formula: C₁₂H₂₆IN₃
• Molecular Weight: 339.27 g/mol
• Exact Mass: 339.12
• IUPAC Name: N,N',3-trimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
• SMILES: CCCC1(C)CCCN(/C(=N/C)NC)C1.I
• InChI: InChI=1S/C12H25N3.HI/c1-5-7-12(2)8-6-9-15(10-12)11(13-3)14-4;/h5-10H2,1-4H3,(H,13,14);1H
• InChIKey: YOKLTRDKEKPSKJ-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 27.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.27
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N',3-trimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide?

The IUPAC name of N,N',3-trimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide (CID 109490114) is N,N',3-trimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide.

What is the SMILES notation for N,N',3-trimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide?

The canonical SMILES for N,N',3-trimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide is CCCC1(C)CCCN(/C(=N/C)NC)C1.I.

What is the InChIKey of N,N',3-trimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide?

The InChIKey is YOKLTRDKEKPSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3.HI/c1-5-7-12(2)8-6-9-15(10-12)11(13-3)14-4;/h5-10H2,1-4H3,(H,13,14);1H.

What are the key properties of N,N',3-trimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide?

N,N',3-trimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 339.27 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N,N',3-trimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109490114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 109490114 — identifiers, structure, computed properties (public domain)

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