(2S,5S)-1-(3-bromopropyl)-2,5-dimethylpyrrolidine

C9H18BrN — CID 92953665

IUPAC(2S,5S)-1-(3-bromopropyl)-2,5-dimethylpyrrolidine
SMILESC[C@H]1CC[C@H](C)N1CCCBr
InChIInChI=1S/C9H18BrN/c1-8-4-5-9(2)11(8)7-3-6-10/h8-9H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyORHLQGXHGDUTKI-IUCAKERBSA-N
MW220.15 g/mol
LogP2.64
Rot. Bonds3

About (2S,5S)-1-(3-bromopropyl)-2,5-dimethylpyrrolidine

(2S,5S)-1-(3-bromopropyl)-2,5-dimethylpyrrolidine (PubChem CID 92953665) has the molecular formula C9H18BrN and a molecular weight of 220.15 g/mol. Its IUPAC name is (2S,5S)-1-(3-bromopropyl)-2,5-dimethylpyrrolidine.

Molecular Properties

Compound Name(2S,5S)-1-(3-bromopropyl)-2,5-dimethylpyrrolidine
PubChem CID92953665
Molecular FormulaC9H18BrN
Molecular Weight220.15 g/mol
Exact Mass219.06
IUPAC Name(2S,5S)-1-(3-bromopropyl)-2,5-dimethylpyrrolidine
SMILESC[C@H]1CC[C@H](C)N1CCCBr
InChIInChI=1S/C9H18BrN/c1-8-4-5-9(2)11(8)7-3-6-10/h8-9H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyORHLQGXHGDUTKI-IUCAKERBSA-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-(Bromomethyl)-1-methylpyrrolidine hydrobromide
CID 56773752
2-(2-Bromoethyl)-1-methylpyrrolidine hydrobromide
CID 71756610
(2R)-2-(bromomethyl)-1-methylpyrrolidine hydrobromide
CID 165477637
Diethylpyrrolidine
CID 12411601
1-Butyl-2,5-dimethylpyrrolidine
CID 12499528
2-Ethyl-1-propan-2-ylpyrrolidine
CID 18731878
1-(3'-Ethyl-2'-pyrrolidyl) propane
CID 53790017
N-hexyl-2-methylpyrrolidine
CID 89884184
6-Bromo-N,N-diethylhexan-1-amine
CID 12583379
2-Bromomethyl-1-methyl-pyrrolidine
CID 22616983
2-(2-Bromoethyl)-1-methylpyrrolidine
CID 59730744
1-Butyl-2-ethylpyrrolidine
CID 18323959

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-1-(3-bromopropyl)-2,5-dimethylpyrrolidine?
The IUPAC name of (2S,5S)-1-(3-bromopropyl)-2,5-dimethylpyrrolidine (CID 92953665) is (2S,5S)-1-(3-bromopropyl)-2,5-dimethylpyrrolidine.
What is the SMILES notation for (2S,5S)-1-(3-bromopropyl)-2,5-dimethylpyrrolidine?
The canonical SMILES for (2S,5S)-1-(3-bromopropyl)-2,5-dimethylpyrrolidine is C[C@H]1CC[C@H](C)N1CCCBr.
What is the InChIKey of (2S,5S)-1-(3-bromopropyl)-2,5-dimethylpyrrolidine?
The InChIKey is ORHLQGXHGDUTKI-IUCAKERBSA-N. The full InChI is InChI=1S/C9H18BrN/c1-8-4-5-9(2)11(8)7-3-6-10/h8-9H,3-7H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (2S,5S)-1-(3-bromopropyl)-2,5-dimethylpyrrolidine?
(2S,5S)-1-(3-bromopropyl)-2,5-dimethylpyrrolidine 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 (2S,5S)-1-(3-bromopropyl)-2,5-dimethylpyrrolidine is sourced from PubChem (CID 92953665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).