3-[2-[5-[(2-methyl-2-azabicyclo[2.2.1]heptan-6-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethyl]-3,8-diazabicyclo[3.2.1]octane

C21H37N5 — CID 155013470

IUPAC3-[2-[5-[(2-methyl-2-azabicyclo[2.2.1]heptan-6-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethyl]-3,8-diazabicyclo[3.2.1]octane
SMILESCN1CC2CC(CN3CC4CC3CN4CCN3CC4CCC(C3)N4)C1C2
InChIInChI=1S/C21H37N5/c1-23-9-15-6-16(21(23)7-15)10-26-14-19-8-20(26)13-25(19)5-4-24-11-17-2-3-18(12-24)22-17/h15-22H,2-14H2,1H3
InChIKeyVCWSIMWYRQCRBF-UHFFFAOYSA-N
MW359.56 g/mol
LogP0.52
Rot. Bonds5

About 3-[2-[5-[(2-methyl-2-azabicyclo[2.2.1]heptan-6-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethyl]-3,8-diazabicyclo[3.2.1]octane

3-[2-[5-[(2-methyl-2-azabicyclo[2.2.1]heptan-6-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethyl]-3,8-diazabicyclo[3.2.1]octane (PubChem CID 155013470) has the molecular formula C21H37N5 and a molecular weight of 359.56 g/mol. Its IUPAC name is 3-[2-[5-[(2-methyl-2-azabicyclo[2.2.1]heptan-6-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethyl]-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[2-[5-[(2-methyl-2-azabicyclo[2.2.1]heptan-6-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethyl]-3,8-diazabicyclo[3.2.1]octane
PubChem CID155013470
Molecular FormulaC21H37N5
Molecular Weight359.56 g/mol
Exact Mass359.30
IUPAC Name3-[2-[5-[(2-methyl-2-azabicyclo[2.2.1]heptan-6-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethyl]-3,8-diazabicyclo[3.2.1]octane
SMILESCN1CC2CC(CN3CC4CC3CN4CCN3CC4CCC(C3)N4)C1C2
InChIInChI=1S/C21H37N5/c1-23-9-15-6-16(21(23)7-15)10-26-14-19-8-20(26)13-25(19)5-4-24-11-17-2-3-18(12-24)22-17/h15-22H,2-14H2,1H3
InChIKeyVCWSIMWYRQCRBF-UHFFFAOYSA-N
XLogP0.52
TPSA24.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.56
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-[5-[(2-methyl-2-azabicyclo[2.2.1]heptan-6-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethyl]-3,8-diazabicyclo[3.2.1]octane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-[(2-methyl-2-azabicyclo[2.2.1]heptan-6-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethyl]-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-[2-[5-[(2-methyl-2-azabicyclo[2.2.1]heptan-6-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethyl]-3,8-diazabicyclo[3.2.1]octane (CID 155013470) is 3-[2-[5-[(2-methyl-2-azabicyclo[2.2.1]heptan-6-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethyl]-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[2-[5-[(2-methyl-2-azabicyclo[2.2.1]heptan-6-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethyl]-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-[2-[5-[(2-methyl-2-azabicyclo[2.2.1]heptan-6-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethyl]-3,8-diazabicyclo[3.2.1]octane is CN1CC2CC(CN3CC4CC3CN4CCN3CC4CCC(C3)N4)C1C2.
What is the InChIKey of 3-[2-[5-[(2-methyl-2-azabicyclo[2.2.1]heptan-6-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethyl]-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is VCWSIMWYRQCRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N5/c1-23-9-15-6-16(21(23)7-15)10-26-14-19-8-20(26)13-25(19)5-4-24-11-17-2-3-18(12-24)22-17/h15-22H,2-14H2,1H3.
What are the key properties of 3-[2-[5-[(2-methyl-2-azabicyclo[2.2.1]heptan-6-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethyl]-3,8-diazabicyclo[3.2.1]octane?
3-[2-[5-[(2-methyl-2-azabicyclo[2.2.1]heptan-6-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethyl]-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 359.56 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-[(2-methyl-2-azabicyclo[2.2.1]heptan-6-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethyl]-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 155013470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).