Ethane;5-ethyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane

C₁₃H₂₇N — CID 177191821

About Ethane;5-ethyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane

Ethane;5-ethyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane (PubChem CID 177191821) has the molecular formula C₁₃H₂₇N and a molecular weight of 197.37 g/mol. Its IUPAC name is ethane;5-ethyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane.

Molecular Properties

• Compound Name: Ethane;5-ethyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane
• PubChem CID: 177191821
• Molecular Formula: C₁₃H₂₇N
• Molecular Weight: 197.37 g/mol
• Exact Mass: 197.21
• IUPAC Name: ethane;5-ethyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane
• SMILES: CC.CCC1CC2CC1CN2C(C)C
• InChI: InChI=1S/C11H21N.C2H6/c1-4-9-5-11-6-10(9)7-12(11)8(2)3;1-2/h8-11H,4-7H2,1-3H3;1-2H3
• InChIKey: LSQZQFMCTCAGRM-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	197.37
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of Ethane;5-ethyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane?

The IUPAC name of Ethane;5-ethyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane (CID 177191821) is ethane;5-ethyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane.

What is the SMILES notation for Ethane;5-ethyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane?

The canonical SMILES for Ethane;5-ethyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane is CC.CCC1CC2CC1CN2C(C)C.

What is the InChIKey of Ethane;5-ethyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane?

The InChIKey is LSQZQFMCTCAGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.C2H6/c1-4-9-5-11-6-10(9)7-12(11)8(2)3;1-2/h8-11H,4-7H2,1-3H3;1-2H3.

What are the key properties of Ethane;5-ethyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane?

Ethane;5-ethyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane has a molecular weight of 197.37 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Ethane;5-ethyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 177191821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 177191821 — identifiers, structure, computed properties (public domain)

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