3-tert-butyl-1-[2-methyl-2-(oxetan-3-yl)propyl]pyrrolidine

C15H29NO — CID 130402090

IUPAC3-tert-butyl-1-[2-methyl-2-(oxetan-3-yl)propyl]pyrrolidine
SMILESCC(C)(C)C1CCN(CC(C)(C)C2COC2)C1
InChIInChI=1S/C15H29NO/c1-14(2,3)12-6-7-16(8-12)11-15(4,5)13-9-17-10-13/h12-13H,6-11H2,1-5H3
InChIKeyOXRPETQKZPOJHV-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.03
Rot. Bonds3

About 3-tert-butyl-1-[2-methyl-2-(oxetan-3-yl)propyl]pyrrolidine

3-tert-butyl-1-[2-methyl-2-(oxetan-3-yl)propyl]pyrrolidine (PubChem CID 130402090) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 3-tert-butyl-1-[2-methyl-2-(oxetan-3-yl)propyl]pyrrolidine.

Molecular Properties

Compound Name3-tert-butyl-1-[2-methyl-2-(oxetan-3-yl)propyl]pyrrolidine
PubChem CID130402090
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name3-tert-butyl-1-[2-methyl-2-(oxetan-3-yl)propyl]pyrrolidine
SMILESCC(C)(C)C1CCN(CC(C)(C)C2COC2)C1
InChIInChI=1S/C15H29NO/c1-14(2,3)12-6-7-16(8-12)11-15(4,5)13-9-17-10-13/h12-13H,6-11H2,1-5H3
InChIKeyOXRPETQKZPOJHV-UHFFFAOYSA-N
XLogP3.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[2-methyl-2-(oxetan-3-yl)propyl]pyrrolidine?
The IUPAC name of 3-tert-butyl-1-[2-methyl-2-(oxetan-3-yl)propyl]pyrrolidine (CID 130402090) is 3-tert-butyl-1-[2-methyl-2-(oxetan-3-yl)propyl]pyrrolidine.
What is the SMILES notation for 3-tert-butyl-1-[2-methyl-2-(oxetan-3-yl)propyl]pyrrolidine?
The canonical SMILES for 3-tert-butyl-1-[2-methyl-2-(oxetan-3-yl)propyl]pyrrolidine is CC(C)(C)C1CCN(CC(C)(C)C2COC2)C1.
What is the InChIKey of 3-tert-butyl-1-[2-methyl-2-(oxetan-3-yl)propyl]pyrrolidine?
The InChIKey is OXRPETQKZPOJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-14(2,3)12-6-7-16(8-12)11-15(4,5)13-9-17-10-13/h12-13H,6-11H2,1-5H3.
What are the key properties of 3-tert-butyl-1-[2-methyl-2-(oxetan-3-yl)propyl]pyrrolidine?
3-tert-butyl-1-[2-methyl-2-(oxetan-3-yl)propyl]pyrrolidine has a molecular weight of 239.40 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[2-methyl-2-(oxetan-3-yl)propyl]pyrrolidine is sourced from PubChem (CID 130402090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).