5-ethyl-N,5-dimethyl-1,3-diazinan-2-imine

C₈H₁₇N₃ — CID 136646704

About 5-ethyl-N,5-dimethyl-1,3-diazinan-2-imine

5-ethyl-N,5-dimethyl-1,3-diazinan-2-imine (PubChem CID 136646704) has the molecular formula C₈H₁₇N₃ and a molecular weight of 155.25 g/mol. Its IUPAC name is 5-ethyl-N,5-dimethyl-1,3-diazinan-2-imine.

Molecular Properties

• Compound Name: 5-ethyl-N,5-dimethyl-1,3-diazinan-2-imine
• PubChem CID: 136646704
• Molecular Formula: C₈H₁₇N₃
• Molecular Weight: 155.25 g/mol
• Exact Mass: 155.14
• IUPAC Name: 5-ethyl-N,5-dimethyl-1,3-diazinan-2-imine
• SMILES: CCC1(C)CNC(=NC)NC1
• InChI: InChI=1S/C8H17N3/c1-4-8(2)5-10-7(9-3)11-6-8/h4-6H2,1-3H3,(H2,9,10,11)
• InChIKey: VIUDSCVDSSJSCM-UHFFFAOYSA-N
• XLogP: 0.58
• TPSA: 36.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	155.25
LogP ≤ 5	0.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N,5-dimethyl-1,3-diazinan-2-imine?

The IUPAC name of 5-ethyl-N,5-dimethyl-1,3-diazinan-2-imine (CID 136646704) is 5-ethyl-N,5-dimethyl-1,3-diazinan-2-imine.

What is the SMILES notation for 5-ethyl-N,5-dimethyl-1,3-diazinan-2-imine?

The canonical SMILES for 5-ethyl-N,5-dimethyl-1,3-diazinan-2-imine is CCC1(C)CNC(=NC)NC1.

What is the InChIKey of 5-ethyl-N,5-dimethyl-1,3-diazinan-2-imine?

The InChIKey is VIUDSCVDSSJSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-4-8(2)5-10-7(9-3)11-6-8/h4-6H2,1-3H3,(H2,9,10,11).

What are the key properties of 5-ethyl-N,5-dimethyl-1,3-diazinan-2-imine?

5-ethyl-N,5-dimethyl-1,3-diazinan-2-imine has a molecular weight of 155.25 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-N,5-dimethyl-1,3-diazinan-2-imine is sourced from PubChem (CID 136646704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 136646704 — identifiers, structure, computed properties (public domain)

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