(2R,5R)-2-benzyl-5-ethylpyrrolidine

C13H19N — CID 11267979

IUPAC(2R,5R)-2-benzyl-5-ethylpyrrolidine
SMILESCC[C@@H]1CC[C@H](Cc2ccccc2)N1
InChIInChI=1S/C13H19N/c1-2-12-8-9-13(14-12)10-11-6-4-3-5-7-11/h3-7,12-14H,2,8-10H2,1H3/t12-,13-/m1/s1
InChIKeySMHYUKPDWFJABC-CHWSQXEVSA-N
MW189.30 g/mol
LogP2.76
Rot. Bonds3

About (2R,5R)-2-benzyl-5-ethylpyrrolidine

(2R,5R)-2-benzyl-5-ethylpyrrolidine (PubChem CID 11267979) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (2R,5R)-2-benzyl-5-ethylpyrrolidine.

Molecular Properties

Compound Name(2R,5R)-2-benzyl-5-ethylpyrrolidine
PubChem CID11267979
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(2R,5R)-2-benzyl-5-ethylpyrrolidine
SMILESCC[C@@H]1CC[C@H](Cc2ccccc2)N1
InChIInChI=1S/C13H19N/c1-2-12-8-9-13(14-12)10-11-6-4-3-5-7-11/h3-7,12-14H,2,8-10H2,1H3/t12-,13-/m1/s1
InChIKeySMHYUKPDWFJABC-CHWSQXEVSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,5R)-2-benzyl-5-(2-phenylethyl)pyrrolidine;hydrochloride
CID 70526250
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(2S)-2-benzylazetidine;molecular hydrogen
CID 145023089
N-benzyl-2,6-diethylpiperidin-4-amine
CID 174569983
5-benzyl-3-ethyl-2-phenylmorpholine
CID 63261636
6-benzylpiperidine-2-carboxylic acid
CID 112574120
2-benzyl-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine
CID 174604761
4-benzyl-2-methyl-1,3-oxazolidine
CID 82280019
3-benzylpyrazolidine
CID 138058728
3-benzyl-2-ethylpyrrolidine
CID 4543797
2-benzyl-5-ethyloxolane
CID 134971012
(5R)-5-benzylpyrrolidin-2-one
CID 740530

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-benzyl-5-ethylpyrrolidine?
The IUPAC name of (2R,5R)-2-benzyl-5-ethylpyrrolidine (CID 11267979) is (2R,5R)-2-benzyl-5-ethylpyrrolidine.
What is the SMILES notation for (2R,5R)-2-benzyl-5-ethylpyrrolidine?
The canonical SMILES for (2R,5R)-2-benzyl-5-ethylpyrrolidine is CC[C@@H]1CC[C@H](Cc2ccccc2)N1.
What is the InChIKey of (2R,5R)-2-benzyl-5-ethylpyrrolidine?
The InChIKey is SMHYUKPDWFJABC-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H19N/c1-2-12-8-9-13(14-12)10-11-6-4-3-5-7-11/h3-7,12-14H,2,8-10H2,1H3/t12-,13-/m1/s1.
What are the key properties of (2R,5R)-2-benzyl-5-ethylpyrrolidine?
(2R,5R)-2-benzyl-5-ethylpyrrolidine has a molecular weight of 189.30 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-benzyl-5-ethylpyrrolidine is sourced from PubChem (CID 11267979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).