2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane

C₉H₁₈N₂ — CID 18731886

About 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane

2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 18731886) has the molecular formula C₉H₁₈N₂ and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

• Compound Name: 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
• PubChem CID: 18731886
• Molecular Formula: C₉H₁₈N₂
• Molecular Weight: 154.26 g/mol
• Exact Mass: 154.15
• IUPAC Name: 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
• SMILES: CC(C)N1CC2CC1CN2C
• InChI: InChI=1S/C9H18N2/c1-7(2)11-6-8-4-9(11)5-10(8)3/h7-9H,4-6H2,1-3H3
• InChIKey: RQJLAIUTUWWXTK-UHFFFAOYSA-N
• XLogP: 0.78
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	154.26
LogP ≤ 5	0.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?

The IUPAC name of 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane (CID 18731886) is 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane.

What is the SMILES notation for 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?

The canonical SMILES for 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane is CC(C)N1CC2CC1CN2C.

What is the InChIKey of 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?

The InChIKey is RQJLAIUTUWWXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-7(2)11-6-8-4-9(11)5-10(8)3/h7-9H,4-6H2,1-3H3.

What are the key properties of 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?

2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 154.26 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 18731886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 18731886 — identifiers, structure, computed properties (public domain)

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