2-[[2-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-1-azabicyclo[2.2.2]octan-4-yl]methyl]-5-methyl-1-azabicyclo[3.3.1]nonane

C24H41N3 — CID 170443168

IUPAC2-[[2-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-1-azabicyclo[2.2.2]octan-4-yl]methyl]-5-methyl-1-azabicyclo[3.3.1]nonane
SMILESCC12CCCN(C1)C(CC13CCN(CC1)C(CC14CCN(CC1)C4)C3)CC2
InChIInChI=1S/C24H41N3/c1-22-4-2-10-27(18-22)20(3-5-22)15-23-8-13-26(14-9-23)21(16-23)17-24-6-11-25(19-24)12-7-24/h20-21H,2-19H2,1H3
InChIKeyASESRRHADRIFCX-UHFFFAOYSA-N
MW371.61 g/mol
LogP3.98
Rot. Bonds4

About 2-[[2-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-1-azabicyclo[2.2.2]octan-4-yl]methyl]-5-methyl-1-azabicyclo[3.3.1]nonane

2-[[2-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-1-azabicyclo[2.2.2]octan-4-yl]methyl]-5-methyl-1-azabicyclo[3.3.1]nonane (PubChem CID 170443168) has the molecular formula C24H41N3 and a molecular weight of 371.61 g/mol. Its IUPAC name is 2-[[2-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-1-azabicyclo[2.2.2]octan-4-yl]methyl]-5-methyl-1-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name2-[[2-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-1-azabicyclo[2.2.2]octan-4-yl]methyl]-5-methyl-1-azabicyclo[3.3.1]nonane
PubChem CID170443168
Molecular FormulaC24H41N3
Molecular Weight371.61 g/mol
Exact Mass371.33
IUPAC Name2-[[2-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-1-azabicyclo[2.2.2]octan-4-yl]methyl]-5-methyl-1-azabicyclo[3.3.1]nonane
SMILESCC12CCCN(C1)C(CC13CCN(CC1)C(CC14CCN(CC1)C4)C3)CC2
InChIInChI=1S/C24H41N3/c1-22-4-2-10-27(18-22)20(3-5-22)15-23-8-13-26(14-9-23)21(16-23)17-24-6-11-25(19-24)12-7-24/h20-21H,2-19H2,1H3
InChIKeyASESRRHADRIFCX-UHFFFAOYSA-N
XLogP3.98
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.61
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-1-azabicyclo[2.2.2]octan-4-yl]methyl]-5-methyl-1-azabicyclo[3.3.1]nonane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-1-azabicyclo[2.2.2]octan-4-yl]methyl]-5-methyl-1-azabicyclo[3.3.1]nonane?
The IUPAC name of 2-[[2-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-1-azabicyclo[2.2.2]octan-4-yl]methyl]-5-methyl-1-azabicyclo[3.3.1]nonane (CID 170443168) is 2-[[2-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-1-azabicyclo[2.2.2]octan-4-yl]methyl]-5-methyl-1-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 2-[[2-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-1-azabicyclo[2.2.2]octan-4-yl]methyl]-5-methyl-1-azabicyclo[3.3.1]nonane?
The canonical SMILES for 2-[[2-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-1-azabicyclo[2.2.2]octan-4-yl]methyl]-5-methyl-1-azabicyclo[3.3.1]nonane is CC12CCCN(C1)C(CC13CCN(CC1)C(CC14CCN(CC1)C4)C3)CC2.
What is the InChIKey of 2-[[2-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-1-azabicyclo[2.2.2]octan-4-yl]methyl]-5-methyl-1-azabicyclo[3.3.1]nonane?
The InChIKey is ASESRRHADRIFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N3/c1-22-4-2-10-27(18-22)20(3-5-22)15-23-8-13-26(14-9-23)21(16-23)17-24-6-11-25(19-24)12-7-24/h20-21H,2-19H2,1H3.
What are the key properties of 2-[[2-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-1-azabicyclo[2.2.2]octan-4-yl]methyl]-5-methyl-1-azabicyclo[3.3.1]nonane?
2-[[2-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-1-azabicyclo[2.2.2]octan-4-yl]methyl]-5-methyl-1-azabicyclo[3.3.1]nonane has a molecular weight of 371.61 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-1-azabicyclo[2.2.2]octan-4-yl]methyl]-5-methyl-1-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 170443168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).