2-(1-azabicyclo[2.2.2]octan-3-yl)-8,8-dipropyl-2-azaspiro[4.5]decane

C22H40N2 — CID 19381114

IUPAC2-(1-azabicyclo[2.2.2]octan-3-yl)-8,8-dipropyl-2-azaspiro[4.5]decane
SMILESCCCC1(CCC)CCC2(CCN(C3CN4CCC3CC4)C2)CC1
InChIInChI=1S/C22H40N2/c1-3-7-21(8-4-2)9-11-22(12-10-21)13-16-24(18-22)20-17-23-14-5-19(20)6-15-23/h19-20H,3-18H2,1-2H3
InChIKeyPTEWQSXFTILCJM-UHFFFAOYSA-N
MW332.58 g/mol
LogP4.93
Rot. Bonds5

About 2-(1-azabicyclo[2.2.2]octan-3-yl)-8,8-dipropyl-2-azaspiro[4.5]decane

2-(1-azabicyclo[2.2.2]octan-3-yl)-8,8-dipropyl-2-azaspiro[4.5]decane (PubChem CID 19381114) has the molecular formula C22H40N2 and a molecular weight of 332.58 g/mol. Its IUPAC name is 2-(1-azabicyclo[2.2.2]octan-3-yl)-8,8-dipropyl-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name2-(1-azabicyclo[2.2.2]octan-3-yl)-8,8-dipropyl-2-azaspiro[4.5]decane
PubChem CID19381114
Molecular FormulaC22H40N2
Molecular Weight332.58 g/mol
Exact Mass332.32
IUPAC Name2-(1-azabicyclo[2.2.2]octan-3-yl)-8,8-dipropyl-2-azaspiro[4.5]decane
SMILESCCCC1(CCC)CCC2(CCN(C3CN4CCC3CC4)C2)CC1
InChIInChI=1S/C22H40N2/c1-3-7-21(8-4-2)9-11-22(12-10-21)13-16-24(18-22)20-17-23-14-5-19(20)6-15-23/h19-20H,3-18H2,1-2H3
InChIKeyPTEWQSXFTILCJM-UHFFFAOYSA-N
XLogP4.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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-(1-azabicyclo[2.2.2]octan-3-yl)-8,8-dipropyl-2-azaspiro[4.5]decane?
The IUPAC name of 2-(1-azabicyclo[2.2.2]octan-3-yl)-8,8-dipropyl-2-azaspiro[4.5]decane (CID 19381114) is 2-(1-azabicyclo[2.2.2]octan-3-yl)-8,8-dipropyl-2-azaspiro[4.5]decane.
What is the SMILES notation for 2-(1-azabicyclo[2.2.2]octan-3-yl)-8,8-dipropyl-2-azaspiro[4.5]decane?
The canonical SMILES for 2-(1-azabicyclo[2.2.2]octan-3-yl)-8,8-dipropyl-2-azaspiro[4.5]decane is CCCC1(CCC)CCC2(CCN(C3CN4CCC3CC4)C2)CC1.
What is the InChIKey of 2-(1-azabicyclo[2.2.2]octan-3-yl)-8,8-dipropyl-2-azaspiro[4.5]decane?
The InChIKey is PTEWQSXFTILCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2/c1-3-7-21(8-4-2)9-11-22(12-10-21)13-16-24(18-22)20-17-23-14-5-19(20)6-15-23/h19-20H,3-18H2,1-2H3.
What are the key properties of 2-(1-azabicyclo[2.2.2]octan-3-yl)-8,8-dipropyl-2-azaspiro[4.5]decane?
2-(1-azabicyclo[2.2.2]octan-3-yl)-8,8-dipropyl-2-azaspiro[4.5]decane has a molecular weight of 332.58 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azabicyclo[2.2.2]octan-3-yl)-8,8-dipropyl-2-azaspiro[4.5]decane is sourced from PubChem (CID 19381114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).