(2R,5R)-2-(2-bromoethyl)-5-ethyl-1-methylpyrrolidine

C9H18BrN — CID 59074891

IUPAC(2R,5R)-2-(2-bromoethyl)-5-ethyl-1-methylpyrrolidine
SMILESCC[C@@H]1CC[C@H](CCBr)N1C
InChIInChI=1S/C9H18BrN/c1-3-8-4-5-9(6-7-10)11(8)2/h8-9H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyYOFCDEURWVXGJH-RKDXNWHRSA-N
MW220.15 g/mol
LogP2.64
Rot. Bonds3

About (2R,5R)-2-(2-bromoethyl)-5-ethyl-1-methylpyrrolidine

(2R,5R)-2-(2-bromoethyl)-5-ethyl-1-methylpyrrolidine (PubChem CID 59074891) has the molecular formula C9H18BrN and a molecular weight of 220.15 g/mol. Its IUPAC name is (2R,5R)-2-(2-bromoethyl)-5-ethyl-1-methylpyrrolidine.

Molecular Properties

Compound Name(2R,5R)-2-(2-bromoethyl)-5-ethyl-1-methylpyrrolidine
PubChem CID59074891
Molecular FormulaC9H18BrN
Molecular Weight220.15 g/mol
Exact Mass219.06
IUPAC Name(2R,5R)-2-(2-bromoethyl)-5-ethyl-1-methylpyrrolidine
SMILESCC[C@@H]1CC[C@H](CCBr)N1C
InChIInChI=1S/C9H18BrN/c1-3-8-4-5-9(6-7-10)11(8)2/h8-9H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyYOFCDEURWVXGJH-RKDXNWHRSA-N
XLogP2.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-Butyl-1-methylpyrrolidine
CID 558513
2-(2-Bromoethyl)-1-methylpyrrolidine hydrobromide
CID 71756610
1,5-Dimethyl-2-n-propyl-pyrrolidine
CID 91482901
2-Bromomethyl-1-methyl-pyrrolidine
CID 22616983
2-(2-Bromoethyl)-1-methylpyrrolidine
CID 59730744
2-Hexyl-1-methylpyrrolidine
CID 558512
2-Decyl-1-methylpyrrolidine
CID 558656
Pyrrolidine, 1-methyl-2-octyl-
CID 558657
1-Nonan-2-ylpyrrolidine
CID 15322852
1-(3-Bromopropyl)-2,5-dimethylpyrrolidinium bromide
CID 44151969
2-(3-Bromopropyl)-1-(3,3,3-trifluoropropyl)pyrrolidine
CID 80690644
2-(3-Bromopropyl)-1-(2,2-difluoroethyl)pyrrolidine
CID 80691064

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-(2-bromoethyl)-5-ethyl-1-methylpyrrolidine?
The IUPAC name of (2R,5R)-2-(2-bromoethyl)-5-ethyl-1-methylpyrrolidine (CID 59074891) is (2R,5R)-2-(2-bromoethyl)-5-ethyl-1-methylpyrrolidine.
What is the SMILES notation for (2R,5R)-2-(2-bromoethyl)-5-ethyl-1-methylpyrrolidine?
The canonical SMILES for (2R,5R)-2-(2-bromoethyl)-5-ethyl-1-methylpyrrolidine is CC[C@@H]1CC[C@H](CCBr)N1C.
What is the InChIKey of (2R,5R)-2-(2-bromoethyl)-5-ethyl-1-methylpyrrolidine?
The InChIKey is YOFCDEURWVXGJH-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H18BrN/c1-3-8-4-5-9(6-7-10)11(8)2/h8-9H,3-7H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (2R,5R)-2-(2-bromoethyl)-5-ethyl-1-methylpyrrolidine?
(2R,5R)-2-(2-bromoethyl)-5-ethyl-1-methylpyrrolidine has a molecular weight of 220.15 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-(2-bromoethyl)-5-ethyl-1-methylpyrrolidine is sourced from PubChem (CID 59074891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).