8-(1-azabicyclo[3.2.1]octan-2-yl)-2-[(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)methyl]-2-azabicyclo[4.2.1]nonane

C24H41N3 — CID 126709771

IUPAC8-(1-azabicyclo[3.2.1]octan-2-yl)-2-[(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)methyl]-2-azabicyclo[4.2.1]nonane
SMILESCN1CC2CCC1C(CN1CCCC3CC(C4CCC5CCN4C5)C1C3)C2
InChIInChI=1S/C24H41N3/c1-25-14-19-5-6-22(25)20(11-19)16-26-9-2-3-18-12-21(24(26)13-18)23-7-4-17-8-10-27(23)15-17/h17-24H,2-16H2,1H3
InChIKeyBWJRDGAPNZIGIO-UHFFFAOYSA-N
MW371.61 g/mol
LogP3.69
Rot. Bonds3

About 8-(1-azabicyclo[3.2.1]octan-2-yl)-2-[(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)methyl]-2-azabicyclo[4.2.1]nonane

8-(1-azabicyclo[3.2.1]octan-2-yl)-2-[(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)methyl]-2-azabicyclo[4.2.1]nonane (PubChem CID 126709771) has the molecular formula C24H41N3 and a molecular weight of 371.61 g/mol. Its IUPAC name is 8-(1-azabicyclo[3.2.1]octan-2-yl)-2-[(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)methyl]-2-azabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name8-(1-azabicyclo[3.2.1]octan-2-yl)-2-[(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)methyl]-2-azabicyclo[4.2.1]nonane
PubChem CID126709771
Molecular FormulaC24H41N3
Molecular Weight371.61 g/mol
Exact Mass371.33
IUPAC Name8-(1-azabicyclo[3.2.1]octan-2-yl)-2-[(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)methyl]-2-azabicyclo[4.2.1]nonane
SMILESCN1CC2CCC1C(CN1CCCC3CC(C4CCC5CCN4C5)C1C3)C2
InChIInChI=1S/C24H41N3/c1-25-14-19-5-6-22(25)20(11-19)16-26-9-2-3-18-12-21(24(26)13-18)23-7-4-17-8-10-27(23)15-17/h17-24H,2-16H2,1H3
InChIKeyBWJRDGAPNZIGIO-UHFFFAOYSA-N
XLogP3.69
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.61
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-(1-azabicyclo[3.2.1]octan-2-yl)-2-[(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)methyl]-2-azabicyclo[4.2.1]nonane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(1-azabicyclo[3.2.1]octan-2-yl)-2-[(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)methyl]-2-azabicyclo[4.2.1]nonane?
The IUPAC name of 8-(1-azabicyclo[3.2.1]octan-2-yl)-2-[(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)methyl]-2-azabicyclo[4.2.1]nonane (CID 126709771) is 8-(1-azabicyclo[3.2.1]octan-2-yl)-2-[(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)methyl]-2-azabicyclo[4.2.1]nonane.
What is the SMILES notation for 8-(1-azabicyclo[3.2.1]octan-2-yl)-2-[(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)methyl]-2-azabicyclo[4.2.1]nonane?
The canonical SMILES for 8-(1-azabicyclo[3.2.1]octan-2-yl)-2-[(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)methyl]-2-azabicyclo[4.2.1]nonane is CN1CC2CCC1C(CN1CCCC3CC(C4CCC5CCN4C5)C1C3)C2.
What is the InChIKey of 8-(1-azabicyclo[3.2.1]octan-2-yl)-2-[(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)methyl]-2-azabicyclo[4.2.1]nonane?
The InChIKey is BWJRDGAPNZIGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N3/c1-25-14-19-5-6-22(25)20(11-19)16-26-9-2-3-18-12-21(24(26)13-18)23-7-4-17-8-10-27(23)15-17/h17-24H,2-16H2,1H3.
What are the key properties of 8-(1-azabicyclo[3.2.1]octan-2-yl)-2-[(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)methyl]-2-azabicyclo[4.2.1]nonane?
8-(1-azabicyclo[3.2.1]octan-2-yl)-2-[(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)methyl]-2-azabicyclo[4.2.1]nonane has a molecular weight of 371.61 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-azabicyclo[3.2.1]octan-2-yl)-2-[(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)methyl]-2-azabicyclo[4.2.1]nonane is sourced from PubChem (CID 126709771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).