1,3-di(propan-2-yl)-1,3,5-triazinane

C₉H₂₁N₃ — CID 155613866

About 1,3-di(propan-2-yl)-1,3,5-triazinane

1,3-di(propan-2-yl)-1,3,5-triazinane (PubChem CID 155613866) has the molecular formula C₉H₂₁N₃ and a molecular weight of 171.29 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)-1,3,5-triazinane.

Molecular Properties

• Compound Name: 1,3-di(propan-2-yl)-1,3,5-triazinane
• PubChem CID: 155613866
• Molecular Formula: C₉H₂₁N₃
• Molecular Weight: 171.29 g/mol
• Exact Mass: 171.17
• IUPAC Name: 1,3-di(propan-2-yl)-1,3,5-triazinane
• SMILES: CC(C)N1CNCN(C(C)C)C1
• InChI: InChI=1S/C9H21N3/c1-8(2)11-5-10-6-12(7-11)9(3)4/h8-10H,5-7H2,1-4H3
• InChIKey: RYIRXYGZBIYEKY-UHFFFAOYSA-N
• XLogP: 0.88
• TPSA: 18.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	171.29
LogP ≤ 5	0.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)-1,3,5-triazinane?

The IUPAC name of 1,3-di(propan-2-yl)-1,3,5-triazinane (CID 155613866) is 1,3-di(propan-2-yl)-1,3,5-triazinane.

What is the SMILES notation for 1,3-di(propan-2-yl)-1,3,5-triazinane?

The canonical SMILES for 1,3-di(propan-2-yl)-1,3,5-triazinane is CC(C)N1CNCN(C(C)C)C1.

What is the InChIKey of 1,3-di(propan-2-yl)-1,3,5-triazinane?

The InChIKey is RYIRXYGZBIYEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-8(2)11-5-10-6-12(7-11)9(3)4/h8-10H,5-7H2,1-4H3.

What are the key properties of 1,3-di(propan-2-yl)-1,3,5-triazinane?

1,3-di(propan-2-yl)-1,3,5-triazinane has a molecular weight of 171.29 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-di(propan-2-yl)-1,3,5-triazinane is sourced from PubChem (CID 155613866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155613866 — identifiers, structure, computed properties (public domain)

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