2-propan-2-yl-3-(6-propan-2-yl-6-azabicyclo[3.2.2]nonan-8-yl)-2-azabicyclo[3.2.2]nonane

C22H40N2 — CID 170004182

IUPAC2-propan-2-yl-3-(6-propan-2-yl-6-azabicyclo[3.2.2]nonan-8-yl)-2-azabicyclo[3.2.2]nonane
SMILESCC(C)N1CC2CCCC1CC2C1CC2CCC(CC2)N1C(C)C
InChIInChI=1S/C22H40N2/c1-15(2)23-14-18-6-5-7-20(23)13-21(18)22-12-17-8-10-19(11-9-17)24(22)16(3)4/h15-22H,5-14H2,1-4H3
InChIKeyTVBOQBBEVYIJSE-UHFFFAOYSA-N
MW332.58 g/mol
LogP4.93
Rot. Bonds3

About 2-propan-2-yl-3-(6-propan-2-yl-6-azabicyclo[3.2.2]nonan-8-yl)-2-azabicyclo[3.2.2]nonane

2-propan-2-yl-3-(6-propan-2-yl-6-azabicyclo[3.2.2]nonan-8-yl)-2-azabicyclo[3.2.2]nonane (PubChem CID 170004182) has the molecular formula C22H40N2 and a molecular weight of 332.58 g/mol. Its IUPAC name is 2-propan-2-yl-3-(6-propan-2-yl-6-azabicyclo[3.2.2]nonan-8-yl)-2-azabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name2-propan-2-yl-3-(6-propan-2-yl-6-azabicyclo[3.2.2]nonan-8-yl)-2-azabicyclo[3.2.2]nonane
PubChem CID170004182
Molecular FormulaC22H40N2
Molecular Weight332.58 g/mol
Exact Mass332.32
IUPAC Name2-propan-2-yl-3-(6-propan-2-yl-6-azabicyclo[3.2.2]nonan-8-yl)-2-azabicyclo[3.2.2]nonane
SMILESCC(C)N1CC2CCCC1CC2C1CC2CCC(CC2)N1C(C)C
InChIInChI=1S/C22H40N2/c1-15(2)23-14-18-6-5-7-20(23)13-21(18)22-12-17-8-10-19(11-9-17)24(22)16(3)4/h15-22H,5-14H2,1-4H3
InChIKeyTVBOQBBEVYIJSE-UHFFFAOYSA-N
XLogP4.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.58
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3-(6-propan-2-yl-6-azabicyclo[3.2.2]nonan-8-yl)-2-azabicyclo[3.2.2]nonane?
The IUPAC name of 2-propan-2-yl-3-(6-propan-2-yl-6-azabicyclo[3.2.2]nonan-8-yl)-2-azabicyclo[3.2.2]nonane (CID 170004182) is 2-propan-2-yl-3-(6-propan-2-yl-6-azabicyclo[3.2.2]nonan-8-yl)-2-azabicyclo[3.2.2]nonane.
What is the SMILES notation for 2-propan-2-yl-3-(6-propan-2-yl-6-azabicyclo[3.2.2]nonan-8-yl)-2-azabicyclo[3.2.2]nonane?
The canonical SMILES for 2-propan-2-yl-3-(6-propan-2-yl-6-azabicyclo[3.2.2]nonan-8-yl)-2-azabicyclo[3.2.2]nonane is CC(C)N1CC2CCCC1CC2C1CC2CCC(CC2)N1C(C)C.
What is the InChIKey of 2-propan-2-yl-3-(6-propan-2-yl-6-azabicyclo[3.2.2]nonan-8-yl)-2-azabicyclo[3.2.2]nonane?
The InChIKey is TVBOQBBEVYIJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2/c1-15(2)23-14-18-6-5-7-20(23)13-21(18)22-12-17-8-10-19(11-9-17)24(22)16(3)4/h15-22H,5-14H2,1-4H3.
What are the key properties of 2-propan-2-yl-3-(6-propan-2-yl-6-azabicyclo[3.2.2]nonan-8-yl)-2-azabicyclo[3.2.2]nonane?
2-propan-2-yl-3-(6-propan-2-yl-6-azabicyclo[3.2.2]nonan-8-yl)-2-azabicyclo[3.2.2]nonane has a molecular weight of 332.58 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3-(6-propan-2-yl-6-azabicyclo[3.2.2]nonan-8-yl)-2-azabicyclo[3.2.2]nonane is sourced from PubChem (CID 170004182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).