1-[2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]pyrrolidine

C23H35NO2 — CID 14895670

IUPAC1-[2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]pyrrolidine
SMILESCC1(C)OC2(C)CCC1CC2(Cc1ccccc1)OCCN1CCCC1
InChIInChI=1S/C23H35NO2/c1-21(2)20-11-12-22(3,26-21)23(18-20,17-19-9-5-4-6-10-19)25-16-15-24-13-7-8-14-24/h4-6,9-10,20H,7-8,11-18H2,1-3H3
InChIKeyBPMSPTOEIALRRH-UHFFFAOYSA-N
MW357.54 g/mol
LogP4.45
Rot. Bonds6

About 1-[2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]pyrrolidine

1-[2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]pyrrolidine (PubChem CID 14895670) has the molecular formula C23H35NO2 and a molecular weight of 357.54 g/mol. Its IUPAC name is 1-[2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]pyrrolidine
PubChem CID14895670
Molecular FormulaC23H35NO2
Molecular Weight357.54 g/mol
Exact Mass357.27
IUPAC Name1-[2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]pyrrolidine
SMILESCC1(C)OC2(C)CCC1CC2(Cc1ccccc1)OCCN1CCCC1
InChIInChI=1S/C23H35NO2/c1-21(2)20-11-12-22(3,26-21)23(18-20,17-19-9-5-4-6-10-19)25-16-15-24-13-7-8-14-24/h4-6,9-10,20H,7-8,11-18H2,1-3H3
InChIKeyBPMSPTOEIALRRH-UHFFFAOYSA-N
XLogP4.45
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]pyrrolidine with MolForge

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Related Compounds

1-[2-(1-Benzyl-4-propan-2-ylcyclohexyl)oxyethyl]pyrrolidine
CID 21025285
4-[2-(1-Benzyl-4-propan-2-ylcyclohexyl)oxyethyl]morpholine
CID 21025514
1-[2-(1-Benzyl-4-methylcyclohexyl)oxyethyl]pyrrolidine
CID 70921641
N,N-diethyl-2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethanamine
CID 14895655
N-propan-2-yl-N-[2-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]propan-2-amine
CID 14895657
1-[2-[(1,3,3-Trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]pyrrolidine
CID 14895659
1-[2-[(1,3,3-Trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]piperidine
CID 14895661
4-[2-[(1,3,3-Trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]morpholine
CID 14895663
N,N-diethyl-3-[(1,3,3-trimethyl-6-phenyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]propan-1-amine
CID 14895665
2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]-N,N-dimethylethanamine
CID 14895667
2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]-N,N-diethylethanamine
CID 14895668
N-[2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 14895669

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]pyrrolidine?
The IUPAC name of 1-[2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]pyrrolidine (CID 14895670) is 1-[2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]pyrrolidine?
The canonical SMILES for 1-[2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]pyrrolidine is CC1(C)OC2(C)CCC1CC2(Cc1ccccc1)OCCN1CCCC1.
What is the InChIKey of 1-[2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]pyrrolidine?
The InChIKey is BPMSPTOEIALRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO2/c1-21(2)20-11-12-22(3,26-21)23(18-20,17-19-9-5-4-6-10-19)25-16-15-24-13-7-8-14-24/h4-6,9-10,20H,7-8,11-18H2,1-3H3.
What are the key properties of 1-[2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]pyrrolidine?
1-[2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]pyrrolidine has a molecular weight of 357.54 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]ethyl]pyrrolidine is sourced from PubChem (CID 14895670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).