2-benzyl-1-tert-butylpyrrolidine

C15H23N — CID 44597926

IUPAC2-benzyl-1-tert-butylpyrrolidine
SMILESCC(C)(C)N1CCCC1Cc1ccccc1
InChIInChI=1S/C15H23N/c1-15(2,3)16-11-7-10-14(16)12-13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3
InChIKeyHEVPMTRMXFIYBJ-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.49
Rot. Bonds2

About 2-benzyl-1-tert-butylpyrrolidine

2-benzyl-1-tert-butylpyrrolidine (PubChem CID 44597926) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-benzyl-1-tert-butylpyrrolidine.

Molecular Properties

Compound Name2-benzyl-1-tert-butylpyrrolidine
PubChem CID44597926
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2-benzyl-1-tert-butylpyrrolidine
SMILESCC(C)(C)N1CCCC1Cc1ccccc1
InChIInChI=1S/C15H23N/c1-15(2,3)16-11-7-10-14(16)12-13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3
InChIKeyHEVPMTRMXFIYBJ-UHFFFAOYSA-N
XLogP3.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-[(1-tert-butylpyrrolidin-2-yl)methyl]phenyl]methanol
CID 175185076
(3R)-3-benzyl-4-tert-butylmorpholine
CID 138601634
(2S)-1-tert-butyl-2-phenylpyrrolidine;(2R)-1-tert-butyl-2-phenylpyrrolidine
CID 163924303
2-(2-benzylpyrrolidin-1-yl)-4,6-dimethylpyrimidine
CID 78848726
(2S)-2-benzyl-1-propylpiperidine
CID 97355928
(4R)-4-benzyl-3-[(2R,3R)-3-[(2S)-1-tert-butylpyrrolidin-2-yl]-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 162516189
tert-butyl (2S)-2-benzylpiperidine-1-carboxylate
CID 94006022
tert-butyl (2R)-2-benzylpiperidine-1-carboxylate
CID 67726841
(2R)-1-tert-butyl-2-propylpyrrolidine
CID 126550968
1-tert-butyl-2-(2-phenylethyl)aziridine
CID 155929239
2-benzyl-1-[3-(2,2-dimethylpropyl)phenyl]piperidine
CID 160880008
(2R)-2-benzyl-1-methylaziridine
CID 87174257

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-tert-butylpyrrolidine?
The IUPAC name of 2-benzyl-1-tert-butylpyrrolidine (CID 44597926) is 2-benzyl-1-tert-butylpyrrolidine.
What is the SMILES notation for 2-benzyl-1-tert-butylpyrrolidine?
The canonical SMILES for 2-benzyl-1-tert-butylpyrrolidine is CC(C)(C)N1CCCC1Cc1ccccc1.
What is the InChIKey of 2-benzyl-1-tert-butylpyrrolidine?
The InChIKey is HEVPMTRMXFIYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-15(2,3)16-11-7-10-14(16)12-13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3.
What are the key properties of 2-benzyl-1-tert-butylpyrrolidine?
2-benzyl-1-tert-butylpyrrolidine has a molecular weight of 217.36 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-tert-butylpyrrolidine is sourced from PubChem (CID 44597926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).