3,3-ditert-butyl-1,2,2,5,5-pentamethylpyrrolidine

C17H35N — CID 59748907

IUPAC3,3-ditert-butyl-1,2,2,5,5-pentamethylpyrrolidine
SMILESCN1C(C)(C)CC(C(C)(C)C)(C(C)(C)C)C1(C)C
InChIInChI=1S/C17H35N/c1-13(2,3)17(14(4,5)6)12-15(7,8)18(11)16(17,9)10/h12H2,1-11H3
InChIKeyBZURSRBNYLXKMH-UHFFFAOYSA-N
MW253.47 g/mol
LogP4.96
Rot. Bonds

About 3,3-ditert-butyl-1,2,2,5,5-pentamethylpyrrolidine

3,3-ditert-butyl-1,2,2,5,5-pentamethylpyrrolidine (PubChem CID 59748907) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 3,3-ditert-butyl-1,2,2,5,5-pentamethylpyrrolidine.

Molecular Properties

Compound Name3,3-ditert-butyl-1,2,2,5,5-pentamethylpyrrolidine
PubChem CID59748907
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name3,3-ditert-butyl-1,2,2,5,5-pentamethylpyrrolidine
SMILESCN1C(C)(C)CC(C(C)(C)C)(C(C)(C)C)C1(C)C
InChIInChI=1S/C17H35N/c1-13(2,3)17(14(4,5)6)12-15(7,8)18(11)16(17,9)10/h12H2,1-11H3
InChIKeyBZURSRBNYLXKMH-UHFFFAOYSA-N
XLogP4.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.47
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-ditert-butyl-1,2,2,5,5-pentamethylpyrrolidine?
The IUPAC name of 3,3-ditert-butyl-1,2,2,5,5-pentamethylpyrrolidine (CID 59748907) is 3,3-ditert-butyl-1,2,2,5,5-pentamethylpyrrolidine.
What is the SMILES notation for 3,3-ditert-butyl-1,2,2,5,5-pentamethylpyrrolidine?
The canonical SMILES for 3,3-ditert-butyl-1,2,2,5,5-pentamethylpyrrolidine is CN1C(C)(C)CC(C(C)(C)C)(C(C)(C)C)C1(C)C.
What is the InChIKey of 3,3-ditert-butyl-1,2,2,5,5-pentamethylpyrrolidine?
The InChIKey is BZURSRBNYLXKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-13(2,3)17(14(4,5)6)12-15(7,8)18(11)16(17,9)10/h12H2,1-11H3.
What are the key properties of 3,3-ditert-butyl-1,2,2,5,5-pentamethylpyrrolidine?
3,3-ditert-butyl-1,2,2,5,5-pentamethylpyrrolidine has a molecular weight of 253.47 g/mol, XLogP of 4.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-ditert-butyl-1,2,2,5,5-pentamethylpyrrolidine is sourced from PubChem (CID 59748907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).