4-tert-butyl-1,2,3,4-tetramethylpyrrolidine

C12H25N — CID 159542995

IUPAC4-tert-butyl-1,2,3,4-tetramethylpyrrolidine
SMILESCC1C(C)C(C)(C(C)(C)C)CN1C
InChIInChI=1S/C12H25N/c1-9-10(2)13(7)8-12(9,6)11(3,4)5/h9-10H,8H2,1-7H3
InChIKeyVLHXMNIBHRLUFQ-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.01
Rot. Bonds

About 4-tert-butyl-1,2,3,4-tetramethylpyrrolidine

4-tert-butyl-1,2,3,4-tetramethylpyrrolidine (PubChem CID 159542995) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 4-tert-butyl-1,2,3,4-tetramethylpyrrolidine.

Molecular Properties

Compound Name4-tert-butyl-1,2,3,4-tetramethylpyrrolidine
PubChem CID159542995
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name4-tert-butyl-1,2,3,4-tetramethylpyrrolidine
SMILESCC1C(C)C(C)(C(C)(C)C)CN1C
InChIInChI=1S/C12H25N/c1-9-10(2)13(7)8-12(9,6)11(3,4)5/h9-10H,8H2,1-7H3
InChIKeyVLHXMNIBHRLUFQ-UHFFFAOYSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,2,3,4-tetramethylpyrrolidine?
The IUPAC name of 4-tert-butyl-1,2,3,4-tetramethylpyrrolidine (CID 159542995) is 4-tert-butyl-1,2,3,4-tetramethylpyrrolidine.
What is the SMILES notation for 4-tert-butyl-1,2,3,4-tetramethylpyrrolidine?
The canonical SMILES for 4-tert-butyl-1,2,3,4-tetramethylpyrrolidine is CC1C(C)C(C)(C(C)(C)C)CN1C.
What is the InChIKey of 4-tert-butyl-1,2,3,4-tetramethylpyrrolidine?
The InChIKey is VLHXMNIBHRLUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-9-10(2)13(7)8-12(9,6)11(3,4)5/h9-10H,8H2,1-7H3.
What are the key properties of 4-tert-butyl-1,2,3,4-tetramethylpyrrolidine?
4-tert-butyl-1,2,3,4-tetramethylpyrrolidine has a molecular weight of 183.34 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,2,3,4-tetramethylpyrrolidine is sourced from PubChem (CID 159542995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).