3-ethyl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane

C22H42N4 — CID 130379265

About 3-ethyl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane

3-ethyl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane (PubChem CID 130379265) has the molecular formula C22H42N4 and a molecular weight of 362.61 g/mol. Its IUPAC name is 3-ethyl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

• Compound Name: 3-ethyl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane
• PubChem CID: 130379265
• Molecular Formula: C22H42N4
• Molecular Weight: 362.61 g/mol
• Exact Mass: 362.34
• IUPAC Name: 3-ethyl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane
• SMILES: CCN1CC2CCC(C1)N2C(C)CCC(C)N1CC2CC1CN2C(C)C
• InChI: InChI=1S/C22H42N4/c1-6-23-12-19-9-10-20(13-23)26(19)18(5)8-7-17(4)25-15-21-11-22(25)14-24(21)16(2)3/h16-22H,6-15H2,1-5H3
• InChIKey: VWMIMPNZQCTANX-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.61
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane?

The IUPAC name of 3-ethyl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane (CID 130379265) is 3-ethyl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane.

What is the SMILES notation for 3-ethyl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane?

The canonical SMILES for 3-ethyl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane is CCN1CC2CCC(C1)N2C(C)CCC(C)N1CC2CC1CN2C(C)C.

What is the InChIKey of 3-ethyl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane?

The InChIKey is VWMIMPNZQCTANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N4/c1-6-23-12-19-9-10-20(13-23)26(19)18(5)8-7-17(4)25-15-21-11-22(25)14-24(21)16(2)3/h16-22H,6-15H2,1-5H3.

What are the key properties of 3-ethyl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane?

3-ethyl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 362.61 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 130379265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).