2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-3-azabicyclo[3.2.1]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;ethane

C87H182N8 — CID 158557255

About 2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-3-azabicyclo[3.2.1]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;ethane

2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-3-azabicyclo[3.2.1]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;ethane (PubChem CID 158557255) has the molecular formula C87H182N8 and a molecular weight of 1340.47 g/mol. Its IUPAC name is 2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-3-azabicyclo[3.2.1]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;ethane.

Molecular Properties

• Compound Name: 2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-3-azabicyclo[3.2.1]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;ethane
• PubChem CID: 158557255
• Molecular Formula: C87H182N8
• Molecular Weight: 1340.47 g/mol
• Exact Mass: 1339.45
• IUPAC Name: 2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-3-azabicyclo[3.2.1]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;ethane
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC1C2CC1CN(C)C2.CC1C2CCC1CN(C)C2.CC1CC2CC(C1)N(C)C2.CC1CC2CC1CN(C)C2.CC1CC2CC1CN2C.CC1CC2CCC(C1)N2C.CC1CC2CCC1CN2C.CC1CC2CCCC(C1)N2C
• InChI: InChI=1S/C10H19N.5C9H17N.2C8H15N.8C2H6/c1-8-6-9-4-3-5-10(7-8)11(9)2;1-7-3-8-4-9(7)6-10(2)5-8;1-7-3-8-5-9(4-7)10(2)6-8;1-7-8-3-4-9(7)6-10(2)5-8;1-7-5-9-4-3-8(7)6-10(9)2;1-7-5-8-3-4-9(6-7)10(8)2;1-6-7-3-8(6)5-9(2)4-7;1-6-3-8-4-7(6)5-9(8)2;8*1-2/h8-10H,3-7H2,1-2H3;5*7-9H,3-6H2,1-2H3;2*6-8H,3-5H2,1-2H3;8*1-2H3
• InChIKey: HQLFSEDIEWOYTP-UHFFFAOYSA-N
• XLogP: 21.57
• TPSA: 25.92 Ų
• H-Bond Acceptors: 8
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1340.47
LogP ≤ 5	21.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-3-azabicyclo[3.2.1]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;ethane?

The IUPAC name of 2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-3-azabicyclo[3.2.1]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;ethane (CID 158557255) is 2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-3-azabicyclo[3.2.1]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;ethane.

What is the SMILES notation for 2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-3-azabicyclo[3.2.1]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;ethane?

The canonical SMILES for 2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-3-azabicyclo[3.2.1]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC1C2CC1CN(C)C2.CC1C2CCC1CN(C)C2.CC1CC2CC(C1)N(C)C2.CC1CC2CC1CN(C)C2.CC1CC2CC1CN2C.CC1CC2CCC(C1)N2C.CC1CC2CCC1CN2C.CC1CC2CCCC(C1)N2C.

What is the InChIKey of 2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-3-azabicyclo[3.2.1]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;ethane?

The InChIKey is HQLFSEDIEWOYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.5C9H17N.2C8H15N.8C2H6/c1-8-6-9-4-3-5-10(7-8)11(9)2;1-7-3-8-4-9(7)6-10(2)5-8;1-7-3-8-5-9(4-7)10(2)6-8;1-7-8-3-4-9(7)6-10(2)5-8;1-7-5-9-4-3-8(7)6-10(9)2;1-7-5-8-3-4-9(6-7)10(8)2;1-6-7-3-8(6)5-9(2)4-7;1-6-3-8-4-7(6)5-9(8)2;8*1-2/h8-10H,3-7H2,1-2H3;5*7-9H,3-6H2,1-2H3;2*6-8H,3-5H2,1-2H3;8*1-2H3.

What are the key properties of 2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-3-azabicyclo[3.2.1]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;ethane?

2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-3-azabicyclo[3.2.1]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;ethane has a molecular weight of 1340.47 g/mol, XLogP of 21.57, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-2-azabicyclo[2.2.1]heptane;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-3-azabicyclo[3.2.1]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-3-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;ethane is sourced from PubChem (CID 158557255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).