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

C9H18BrN — CID 92953666

IUPAC(2R,5R)-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-/m1/s1
InChIKeyORHLQGXHGDUTKI-RKDXNWHRSA-N
MW220.15 g/mol
LogP2.64
Rot. Bonds3

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

(2R,5R)-1-(3-bromopropyl)-2,5-dimethylpyrrolidine (PubChem CID 92953666) has the molecular formula C9H18BrN and a molecular weight of 220.15 g/mol. Its IUPAC name is (2R,5R)-1-(3-bromopropyl)-2,5-dimethylpyrrolidine.

Molecular Properties

Compound Name(2R,5R)-1-(3-bromopropyl)-2,5-dimethylpyrrolidine
PubChem CID92953666
Molecular FormulaC9H18BrN
Molecular Weight220.15 g/mol
Exact Mass219.06
IUPAC Name(2R,5R)-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-/m1/s1
InChIKeyORHLQGXHGDUTKI-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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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-1-(3-bromopropyl)-2,5-dimethylpyrrolidine?
The IUPAC name of (2R,5R)-1-(3-bromopropyl)-2,5-dimethylpyrrolidine (CID 92953666) is (2R,5R)-1-(3-bromopropyl)-2,5-dimethylpyrrolidine.
What is the SMILES notation for (2R,5R)-1-(3-bromopropyl)-2,5-dimethylpyrrolidine?
The canonical SMILES for (2R,5R)-1-(3-bromopropyl)-2,5-dimethylpyrrolidine is C[C@@H]1CC[C@@H](C)N1CCCBr.
What is the InChIKey of (2R,5R)-1-(3-bromopropyl)-2,5-dimethylpyrrolidine?
The InChIKey is ORHLQGXHGDUTKI-RKDXNWHRSA-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-/m1/s1.
What are the key properties of (2R,5R)-1-(3-bromopropyl)-2,5-dimethylpyrrolidine?
(2R,5R)-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 (2R,5R)-1-(3-bromopropyl)-2,5-dimethylpyrrolidine is sourced from PubChem (CID 92953666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).