1-(2,5-diethyl-2,5-dimethyloxolan-3-yl)pyrrolidine

C14H27NO — CID 134117743

IUPAC1-(2,5-diethyl-2,5-dimethyloxolan-3-yl)pyrrolidine
SMILESCCC1(C)CC(N2CCCC2)C(C)(CC)O1
InChIInChI=1S/C14H27NO/c1-5-13(3)11-12(14(4,6-2)16-13)15-9-7-8-10-15/h12H,5-11H2,1-4H3
InChIKeyNTPKCWARXXLFSY-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.21
Rot. Bonds3

About 1-(2,5-diethyl-2,5-dimethyloxolan-3-yl)pyrrolidine

1-(2,5-diethyl-2,5-dimethyloxolan-3-yl)pyrrolidine (PubChem CID 134117743) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(2,5-diethyl-2,5-dimethyloxolan-3-yl)pyrrolidine.

Molecular Properties

Compound Name1-(2,5-diethyl-2,5-dimethyloxolan-3-yl)pyrrolidine
PubChem CID134117743
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(2,5-diethyl-2,5-dimethyloxolan-3-yl)pyrrolidine
SMILESCCC1(C)CC(N2CCCC2)C(C)(CC)O1
InChIInChI=1S/C14H27NO/c1-5-13(3)11-12(14(4,6-2)16-13)15-9-7-8-10-15/h12H,5-11H2,1-4H3
InChIKeyNTPKCWARXXLFSY-UHFFFAOYSA-N
XLogP3.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diethyl-2,5-dimethyloxolan-3-yl)pyrrolidine?
The IUPAC name of 1-(2,5-diethyl-2,5-dimethyloxolan-3-yl)pyrrolidine (CID 134117743) is 1-(2,5-diethyl-2,5-dimethyloxolan-3-yl)pyrrolidine.
What is the SMILES notation for 1-(2,5-diethyl-2,5-dimethyloxolan-3-yl)pyrrolidine?
The canonical SMILES for 1-(2,5-diethyl-2,5-dimethyloxolan-3-yl)pyrrolidine is CCC1(C)CC(N2CCCC2)C(C)(CC)O1.
What is the InChIKey of 1-(2,5-diethyl-2,5-dimethyloxolan-3-yl)pyrrolidine?
The InChIKey is NTPKCWARXXLFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-5-13(3)11-12(14(4,6-2)16-13)15-9-7-8-10-15/h12H,5-11H2,1-4H3.
What are the key properties of 1-(2,5-diethyl-2,5-dimethyloxolan-3-yl)pyrrolidine?
1-(2,5-diethyl-2,5-dimethyloxolan-3-yl)pyrrolidine has a molecular weight of 225.38 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diethyl-2,5-dimethyloxolan-3-yl)pyrrolidine is sourced from PubChem (CID 134117743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).