4-[3-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-2,2-dimethylpropyl]morpholine

C18H36N2O — CID 155472825

IUPAC4-[3-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-2,2-dimethylpropyl]morpholine
SMILESCC(C)(C)CN1CCC(CC(C)(C)CN2CCOCC2)C1
InChIInChI=1S/C18H36N2O/c1-17(2,3)14-20-7-6-16(13-20)12-18(4,5)15-19-8-10-21-11-9-19/h16H,6-15H2,1-5H3
InChIKeyIEBYQYJIJVGZRU-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.10
Rot. Bonds5

About 4-[3-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-2,2-dimethylpropyl]morpholine

4-[3-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-2,2-dimethylpropyl]morpholine (PubChem CID 155472825) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 4-[3-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-2,2-dimethylpropyl]morpholine.

Molecular Properties

Compound Name4-[3-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-2,2-dimethylpropyl]morpholine
PubChem CID155472825
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name4-[3-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-2,2-dimethylpropyl]morpholine
SMILESCC(C)(C)CN1CCC(CC(C)(C)CN2CCOCC2)C1
InChIInChI=1S/C18H36N2O/c1-17(2,3)14-20-7-6-16(13-20)12-18(4,5)15-19-8-10-21-11-9-19/h16H,6-15H2,1-5H3
InChIKeyIEBYQYJIJVGZRU-UHFFFAOYSA-N
XLogP3.10
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2S,3R,4R)-1,2-ditert-butyl-4-fluoropyrrolidin-3-yl]methyl]morpholine
CID 146435535
4-[[(5S)-5-tert-butyl-3-fluoro-1-propan-2-ylpyrrolidin-3-yl]methyl]morpholine
CID 146435559
4-[[(2S,4R)-1,2-ditert-butyl-4-fluoropyrrolidin-3-yl]methyl]morpholine
CID 166696902
4-[[(3S,5S)-1,5-ditert-butyl-3-fluoropyrrolidin-3-yl]methyl]morpholine
CID 166696956
4-[[(2S,3S,4R)-1,2-ditert-butyl-4-fluoropyrrolidin-3-yl]methyl]morpholine
CID 166696958
4-[2-[(3R,5S)-1,5-ditert-butyl-3-fluoropyrrolidin-3-yl]ethyl]morpholine
CID 166766938
4-[[(5S)-1,5-ditert-butyl-3-fluoropyrrolidin-3-yl]methyl]morpholine
CID 166767262
4-[[(2S,4R)-2-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidin-3-yl]methyl]morpholine
CID 169598387
4-(2,3,3-Trimethyl-6-morpholin-4-ylhexyl)morpholine
CID 135070777
4-[3-(8,8-Dipropyl-2-azaspiro[4.5]decan-2-yl)propyl]morpholine
CID 15634152
2,3-Diethyl-8-oxa-5-azoniaspiro[4.5]decane
CID 20676426
3-(2,2-Dimethylpropyl)-1-(2-methoxyethyl)pyrrolidine
CID 58391462

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-2,2-dimethylpropyl]morpholine?
The IUPAC name of 4-[3-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-2,2-dimethylpropyl]morpholine (CID 155472825) is 4-[3-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-2,2-dimethylpropyl]morpholine.
What is the SMILES notation for 4-[3-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-2,2-dimethylpropyl]morpholine?
The canonical SMILES for 4-[3-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-2,2-dimethylpropyl]morpholine is CC(C)(C)CN1CCC(CC(C)(C)CN2CCOCC2)C1.
What is the InChIKey of 4-[3-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-2,2-dimethylpropyl]morpholine?
The InChIKey is IEBYQYJIJVGZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-17(2,3)14-20-7-6-16(13-20)12-18(4,5)15-19-8-10-21-11-9-19/h16H,6-15H2,1-5H3.
What are the key properties of 4-[3-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-2,2-dimethylpropyl]morpholine?
4-[3-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-2,2-dimethylpropyl]morpholine has a molecular weight of 296.50 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-2,2-dimethylpropyl]morpholine is sourced from PubChem (CID 155472825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).