1-benzyl-2,5-dimethylpyrrolidine

C13H19N — CID 563059

IUPAC1-benzyl-2,5-dimethylpyrrolidine
SMILESCC1CCC(C)N1Cc1ccccc1
InChIInChI=1S/C13H19N/c1-11-8-9-12(2)14(11)10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3
InChIKeyKKRNGUFZPFNIFS-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.06
Rot. Bonds2

About 1-benzyl-2,5-dimethylpyrrolidine

1-benzyl-2,5-dimethylpyrrolidine (PubChem CID 563059) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-benzyl-2,5-dimethylpyrrolidine.

Molecular Properties

Compound Name1-benzyl-2,5-dimethylpyrrolidine
PubChem CID563059
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1-benzyl-2,5-dimethylpyrrolidine
SMILESCC1CCC(C)N1Cc1ccccc1
InChIInChI=1S/C13H19N/c1-11-8-9-12(2)14(11)10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3
InChIKeyKKRNGUFZPFNIFS-UHFFFAOYSA-N
XLogP3.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,5-dimethylpyrrolidine?
The IUPAC name of 1-benzyl-2,5-dimethylpyrrolidine (CID 563059) is 1-benzyl-2,5-dimethylpyrrolidine.
What is the SMILES notation for 1-benzyl-2,5-dimethylpyrrolidine?
The canonical SMILES for 1-benzyl-2,5-dimethylpyrrolidine is CC1CCC(C)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2,5-dimethylpyrrolidine?
The InChIKey is KKRNGUFZPFNIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-11-8-9-12(2)14(11)10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3.
What are the key properties of 1-benzyl-2,5-dimethylpyrrolidine?
1-benzyl-2,5-dimethylpyrrolidine has a molecular weight of 189.30 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,5-dimethylpyrrolidine is sourced from PubChem (CID 563059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).