8-[2-methyl-1-(2-propan-2-yl-2-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]-8-azabicyclo[3.2.1]octane

C20H36N2 — CID 155454850

IUPAC8-[2-methyl-1-(2-propan-2-yl-2-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]-8-azabicyclo[3.2.1]octane
SMILESCC(C)N1CC2CC1CC2CC(C)(C)N1C2CCCC1CC2
InChIInChI=1S/C20H36N2/c1-14(2)21-13-16-11-19(21)10-15(16)12-20(3,4)22-17-6-5-7-18(22)9-8-17/h14-19H,5-13H2,1-4H3
InChIKeyXSARGSKIIQCSTR-UHFFFAOYSA-N
MW304.52 g/mol
LogP4.29
Rot. Bonds4

About 8-[2-methyl-1-(2-propan-2-yl-2-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]-8-azabicyclo[3.2.1]octane

8-[2-methyl-1-(2-propan-2-yl-2-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]-8-azabicyclo[3.2.1]octane (PubChem CID 155454850) has the molecular formula C20H36N2 and a molecular weight of 304.52 g/mol. Its IUPAC name is 8-[2-methyl-1-(2-propan-2-yl-2-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-[2-methyl-1-(2-propan-2-yl-2-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]-8-azabicyclo[3.2.1]octane
PubChem CID155454850
Molecular FormulaC20H36N2
Molecular Weight304.52 g/mol
Exact Mass304.29
IUPAC Name8-[2-methyl-1-(2-propan-2-yl-2-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]-8-azabicyclo[3.2.1]octane
SMILESCC(C)N1CC2CC1CC2CC(C)(C)N1C2CCCC1CC2
InChIInChI=1S/C20H36N2/c1-14(2)21-13-16-11-19(21)10-15(16)12-20(3,4)22-17-6-5-7-18(22)9-8-17/h14-19H,5-13H2,1-4H3
InChIKeyXSARGSKIIQCSTR-UHFFFAOYSA-N
XLogP4.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.52
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[2-methyl-1-(2-propan-2-yl-2-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-[2-methyl-1-(2-propan-2-yl-2-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]-8-azabicyclo[3.2.1]octane (CID 155454850) is 8-[2-methyl-1-(2-propan-2-yl-2-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-[2-methyl-1-(2-propan-2-yl-2-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-[2-methyl-1-(2-propan-2-yl-2-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]-8-azabicyclo[3.2.1]octane is CC(C)N1CC2CC1CC2CC(C)(C)N1C2CCCC1CC2.
What is the InChIKey of 8-[2-methyl-1-(2-propan-2-yl-2-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]-8-azabicyclo[3.2.1]octane?
The InChIKey is XSARGSKIIQCSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2/c1-14(2)21-13-16-11-19(21)10-15(16)12-20(3,4)22-17-6-5-7-18(22)9-8-17/h14-19H,5-13H2,1-4H3.
What are the key properties of 8-[2-methyl-1-(2-propan-2-yl-2-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]-8-azabicyclo[3.2.1]octane?
8-[2-methyl-1-(2-propan-2-yl-2-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]-8-azabicyclo[3.2.1]octane has a molecular weight of 304.52 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-methyl-1-(2-propan-2-yl-2-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 155454850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).