2-(2-methylpropyl)-2-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine

C16H31NO — CID 114623218

IUPAC2-(2-methylpropyl)-2-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine
SMILESCC(C)CC1(C2CC(C)(C)OC2(C)C)CCCN1
InChIInChI=1S/C16H31NO/c1-12(2)10-16(8-7-9-17-16)13-11-14(3,4)18-15(13,5)6/h12-13,17H,7-11H2,1-6H3
InChIKeyBYXLAIGSOYZWNP-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.75
Rot. Bonds3

About 2-(2-methylpropyl)-2-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine

2-(2-methylpropyl)-2-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine (PubChem CID 114623218) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-(2-methylpropyl)-2-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine.

Molecular Properties

Compound Name2-(2-methylpropyl)-2-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine
PubChem CID114623218
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2-(2-methylpropyl)-2-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine
SMILESCC(C)CC1(C2CC(C)(C)OC2(C)C)CCCN1
InChIInChI=1S/C16H31NO/c1-12(2)10-16(8-7-9-17-16)13-11-14(3,4)18-15(13,5)6/h12-13,17H,7-11H2,1-6H3
InChIKeyBYXLAIGSOYZWNP-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-2-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine?
The IUPAC name of 2-(2-methylpropyl)-2-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine (CID 114623218) is 2-(2-methylpropyl)-2-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine.
What is the SMILES notation for 2-(2-methylpropyl)-2-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine?
The canonical SMILES for 2-(2-methylpropyl)-2-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine is CC(C)CC1(C2CC(C)(C)OC2(C)C)CCCN1.
What is the InChIKey of 2-(2-methylpropyl)-2-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine?
The InChIKey is BYXLAIGSOYZWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-12(2)10-16(8-7-9-17-16)13-11-14(3,4)18-15(13,5)6/h12-13,17H,7-11H2,1-6H3.
What are the key properties of 2-(2-methylpropyl)-2-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine?
2-(2-methylpropyl)-2-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine has a molecular weight of 253.43 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-2-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine is sourced from PubChem (CID 114623218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).