1,2,3-tritert-butylpyrrolidine

C16H33N — CID 58226566

IUPAC1,2,3-tritert-butylpyrrolidine
SMILESCC(C)(C)C1CCN(C(C)(C)C)C1C(C)(C)C
InChIInChI=1S/C16H33N/c1-14(2,3)12-10-11-17(16(7,8)9)13(12)15(4,5)6/h12-13H,10-11H2,1-9H3
InChIKeyANYCFHWBSOZTEJ-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.57
Rot. Bonds

About 1,2,3-tritert-butylpyrrolidine

1,2,3-tritert-butylpyrrolidine (PubChem CID 58226566) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 1,2,3-tritert-butylpyrrolidine.

Molecular Properties

Compound Name1,2,3-tritert-butylpyrrolidine
PubChem CID58226566
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name1,2,3-tritert-butylpyrrolidine
SMILESCC(C)(C)C1CCN(C(C)(C)C)C1C(C)(C)C
InChIInChI=1S/C16H33N/c1-14(2,3)12-10-11-17(16(7,8)9)13(12)15(4,5)6/h12-13H,10-11H2,1-9H3
InChIKeyANYCFHWBSOZTEJ-UHFFFAOYSA-N
XLogP4.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-tritert-butylpyrrolidine?
The IUPAC name of 1,2,3-tritert-butylpyrrolidine (CID 58226566) is 1,2,3-tritert-butylpyrrolidine.
What is the SMILES notation for 1,2,3-tritert-butylpyrrolidine?
The canonical SMILES for 1,2,3-tritert-butylpyrrolidine is CC(C)(C)C1CCN(C(C)(C)C)C1C(C)(C)C.
What is the InChIKey of 1,2,3-tritert-butylpyrrolidine?
The InChIKey is ANYCFHWBSOZTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-14(2,3)12-10-11-17(16(7,8)9)13(12)15(4,5)6/h12-13H,10-11H2,1-9H3.
What are the key properties of 1,2,3-tritert-butylpyrrolidine?
1,2,3-tritert-butylpyrrolidine has a molecular weight of 239.45 g/mol, XLogP of 4.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tritert-butylpyrrolidine is sourced from PubChem (CID 58226566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).