2-(3-bromopropyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidine

C13H26BrNO2 — CID 103413123

IUPAC2-(3-bromopropyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidine
SMILESCOCCOCCCN1CCCC1CCCBr
InChIInChI=1S/C13H26BrNO2/c1-16-11-12-17-10-4-9-15-8-3-6-13(15)5-2-7-14/h13H,2-12H2,1H3
InChIKeyAWCKARGUZQKNBM-UHFFFAOYSA-N
MW308.26 g/mol
LogP2.68
Rot. Bonds10

About 2-(3-bromopropyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidine

2-(3-bromopropyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidine (PubChem CID 103413123) has the molecular formula C13H26BrNO2 and a molecular weight of 308.26 g/mol. Its IUPAC name is 2-(3-bromopropyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidine.

Molecular Properties

Compound Name2-(3-bromopropyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidine
PubChem CID103413123
Molecular FormulaC13H26BrNO2
Molecular Weight308.26 g/mol
Exact Mass307.11
IUPAC Name2-(3-bromopropyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidine
SMILESCOCCOCCCN1CCCC1CCCBr
InChIInChI=1S/C13H26BrNO2/c1-16-11-12-17-10-4-9-15-8-3-6-13(15)5-2-7-14/h13H,2-12H2,1H3
InChIKeyAWCKARGUZQKNBM-UHFFFAOYSA-N
XLogP2.68
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloropropyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidine
CID 103413024
2-(3-methoxypropyl)-1-pentylpyrrolidine
CID 167067724
2-(bromomethyl)-1-(4-methoxybutyl)pyrrolidine
CID 104649764
1-(3-bromopropyl)-2-(methoxymethyl)pyrrolidine
CID 165463199
3-[2-(3-bromopropyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine
CID 114526692
2-(bromomethyl)-1-[2-(2-methoxyethoxy)ethyl]azepane
CID 116638332
1-[1-[3-(2-methoxyethoxy)propyl]piperidin-2-yl]propan-2-one
CID 103409848
2-(3-bromopropyl)-1-(3-methylbutyl)pyrrolidine
CID 80691753
1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrolidin-2-yl]propan-2-ol
CID 114338597
2-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
CID 113427471
1-bromo-3-(2-methoxyethoxy)propane
CID 15636133
N-[[1-(3-methoxypropyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62582162

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopropyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidine?
The IUPAC name of 2-(3-bromopropyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidine (CID 103413123) is 2-(3-bromopropyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidine.
What is the SMILES notation for 2-(3-bromopropyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidine?
The canonical SMILES for 2-(3-bromopropyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidine is COCCOCCCN1CCCC1CCCBr.
What is the InChIKey of 2-(3-bromopropyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidine?
The InChIKey is AWCKARGUZQKNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrNO2/c1-16-11-12-17-10-4-9-15-8-3-6-13(15)5-2-7-14/h13H,2-12H2,1H3.
What are the key properties of 2-(3-bromopropyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidine?
2-(3-bromopropyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidine has a molecular weight of 308.26 g/mol, XLogP of 2.68, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopropyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidine is sourced from PubChem (CID 103413123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).