(4R)-4-tert-butyl-2-(2,2-dimethylpropyl)pyrrolidine

C13H27N — CID 166715420

IUPAC(4R)-4-tert-butyl-2-(2,2-dimethylpropyl)pyrrolidine
SMILESCC(C)(C)CC1C[C@H](C(C)(C)C)CN1
InChIInChI=1S/C13H27N/c1-12(2,3)8-11-7-10(9-14-11)13(4,5)6/h10-11,14H,7-9H2,1-6H3/t10-,11?/m0/s1
InChIKeyCGWSKBWORZBKMV-VUWPPUDQSA-N
MW197.37 g/mol
LogP3.45
Rot. Bonds1

About (4R)-4-tert-butyl-2-(2,2-dimethylpropyl)pyrrolidine

(4R)-4-tert-butyl-2-(2,2-dimethylpropyl)pyrrolidine (PubChem CID 166715420) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is (4R)-4-tert-butyl-2-(2,2-dimethylpropyl)pyrrolidine.

Molecular Properties

Compound Name(4R)-4-tert-butyl-2-(2,2-dimethylpropyl)pyrrolidine
PubChem CID166715420
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name(4R)-4-tert-butyl-2-(2,2-dimethylpropyl)pyrrolidine
SMILESCC(C)(C)CC1C[C@H](C(C)(C)C)CN1
InChIInChI=1S/C13H27N/c1-12(2,3)8-11-7-10(9-14-11)13(4,5)6/h10-11,14H,7-9H2,1-6H3/t10-,11?/m0/s1
InChIKeyCGWSKBWORZBKMV-VUWPPUDQSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-tert-butyl-2-(2,2-dimethylpropyl)pyrrolidine?
The IUPAC name of (4R)-4-tert-butyl-2-(2,2-dimethylpropyl)pyrrolidine (CID 166715420) is (4R)-4-tert-butyl-2-(2,2-dimethylpropyl)pyrrolidine.
What is the SMILES notation for (4R)-4-tert-butyl-2-(2,2-dimethylpropyl)pyrrolidine?
The canonical SMILES for (4R)-4-tert-butyl-2-(2,2-dimethylpropyl)pyrrolidine is CC(C)(C)CC1C[C@H](C(C)(C)C)CN1.
What is the InChIKey of (4R)-4-tert-butyl-2-(2,2-dimethylpropyl)pyrrolidine?
The InChIKey is CGWSKBWORZBKMV-VUWPPUDQSA-N. The full InChI is InChI=1S/C13H27N/c1-12(2,3)8-11-7-10(9-14-11)13(4,5)6/h10-11,14H,7-9H2,1-6H3/t10-,11?/m0/s1.
What are the key properties of (4R)-4-tert-butyl-2-(2,2-dimethylpropyl)pyrrolidine?
(4R)-4-tert-butyl-2-(2,2-dimethylpropyl)pyrrolidine has a molecular weight of 197.37 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-tert-butyl-2-(2,2-dimethylpropyl)pyrrolidine is sourced from PubChem (CID 166715420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).