2-benzyl-2-propan-2-ylpyrrolidine

C14H21N — CID 66466509

IUPAC2-benzyl-2-propan-2-ylpyrrolidine
SMILESCC(C)C1(Cc2ccccc2)CCCN1
InChIInChI=1S/C14H21N/c1-12(2)14(9-6-10-15-14)11-13-7-4-3-5-8-13/h3-5,7-8,12,15H,6,9-11H2,1-2H3
InChIKeyZLAYJTUYJQNGBZ-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.01
Rot. Bonds3

About 2-benzyl-2-propan-2-ylpyrrolidine

2-benzyl-2-propan-2-ylpyrrolidine (PubChem CID 66466509) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 2-benzyl-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2-benzyl-2-propan-2-ylpyrrolidine
PubChem CID66466509
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name2-benzyl-2-propan-2-ylpyrrolidine
SMILESCC(C)C1(Cc2ccccc2)CCCN1
InChIInChI=1S/C14H21N/c1-12(2)14(9-6-10-15-14)11-13-7-4-3-5-8-13/h3-5,7-8,12,15H,6,9-11H2,1-2H3
InChIKeyZLAYJTUYJQNGBZ-UHFFFAOYSA-N
XLogP3.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-bromophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 66468325
2-(furan-2-ylmethyl)-2-propan-2-ylpyrrolidine
CID 83174870
2-(furan-3-ylmethyl)-2-propan-2-ylazepane
CID 83183149
(2-propan-2-ylpyrrolidin-2-yl)methanol
CID 84648893
2-[(2-fluorophenyl)methyl]-2-propan-2-ylazetidine
CID 115058741
2-[(2-chloro-3-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 112653822
2-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylpyrrolidine
CID 104688445
2-[(2,5-dichlorophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 66468098
2-[(2,4-dichlorophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 66467195
2-[(4-ethoxy-3-methoxyphenyl)methyl]-2-propan-2-ylpyrrolidine
CID 104688531
2-[(2-propan-2-ylazetidin-2-yl)methyl]phenol
CID 115058746
2-[2-(2-chlorophenyl)ethyl]-2-propan-2-ylpyrrolidine
CID 117271523

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-propan-2-ylpyrrolidine?
The IUPAC name of 2-benzyl-2-propan-2-ylpyrrolidine (CID 66466509) is 2-benzyl-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 2-benzyl-2-propan-2-ylpyrrolidine?
The canonical SMILES for 2-benzyl-2-propan-2-ylpyrrolidine is CC(C)C1(Cc2ccccc2)CCCN1.
What is the InChIKey of 2-benzyl-2-propan-2-ylpyrrolidine?
The InChIKey is ZLAYJTUYJQNGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-12(2)14(9-6-10-15-14)11-13-7-4-3-5-8-13/h3-5,7-8,12,15H,6,9-11H2,1-2H3.
What are the key properties of 2-benzyl-2-propan-2-ylpyrrolidine?
2-benzyl-2-propan-2-ylpyrrolidine has a molecular weight of 203.33 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 66466509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).