2-(bromomethyl)-1-(4-methoxybutyl)pyrrolidine

C10H20BrNO — CID 104649764

IUPAC2-(bromomethyl)-1-(4-methoxybutyl)pyrrolidine
SMILESCOCCCCN1CCCC1CBr
InChIInChI=1S/C10H20BrNO/c1-13-8-3-2-6-12-7-4-5-10(12)9-11/h10H,2-9H2,1H3
InChIKeyNZPFOBPUUISMAJ-UHFFFAOYSA-N
MW250.18 g/mol
LogP2.27
Rot. Bonds6

About 2-(bromomethyl)-1-(4-methoxybutyl)pyrrolidine

2-(bromomethyl)-1-(4-methoxybutyl)pyrrolidine (PubChem CID 104649764) has the molecular formula C10H20BrNO and a molecular weight of 250.18 g/mol. Its IUPAC name is 2-(bromomethyl)-1-(4-methoxybutyl)pyrrolidine.

Molecular Properties

Compound Name2-(bromomethyl)-1-(4-methoxybutyl)pyrrolidine
PubChem CID104649764
Molecular FormulaC10H20BrNO
Molecular Weight250.18 g/mol
Exact Mass249.07
IUPAC Name2-(bromomethyl)-1-(4-methoxybutyl)pyrrolidine
SMILESCOCCCCN1CCCC1CBr
InChIInChI=1S/C10H20BrNO/c1-13-8-3-2-6-12-7-4-5-10(12)9-11/h10H,2-9H2,1H3
InChIKeyNZPFOBPUUISMAJ-UHFFFAOYSA-N
XLogP2.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(bromomethyl)-1-[2-(2-methoxyethoxy)ethyl]azepane
CID 116638332
[1-(4-methoxybutyl)piperidin-2-yl]methanamine
CID 115741337
[1-(4-methoxybutyl)azepan-2-yl]methanol
CID 116637260
2-(3-methoxypropyl)-1-pentylpyrrolidine
CID 167067724
2-(3-bromopropyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidine
CID 103413123
1-(3-bromopropyl)-2-(methoxymethyl)pyrrolidine
CID 165463199
2-(bromomethyl)-1-heptylpiperidine
CID 80673779
N-[[1-(3-methoxypropyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62582162
N-[[1-(4-methoxybutyl)piperidin-2-yl]methyl]propan-1-amine
CID 113436916
2-(bromomethyl)-1-[2-(2-methylpropoxy)ethyl]pyrrolidine
CID 106457738
2-(3-chloropropyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidine
CID 103413024
2-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine
CID 80675460

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-(4-methoxybutyl)pyrrolidine?
The IUPAC name of 2-(bromomethyl)-1-(4-methoxybutyl)pyrrolidine (CID 104649764) is 2-(bromomethyl)-1-(4-methoxybutyl)pyrrolidine.
What is the SMILES notation for 2-(bromomethyl)-1-(4-methoxybutyl)pyrrolidine?
The canonical SMILES for 2-(bromomethyl)-1-(4-methoxybutyl)pyrrolidine is COCCCCN1CCCC1CBr.
What is the InChIKey of 2-(bromomethyl)-1-(4-methoxybutyl)pyrrolidine?
The InChIKey is NZPFOBPUUISMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO/c1-13-8-3-2-6-12-7-4-5-10(12)9-11/h10H,2-9H2,1H3.
What are the key properties of 2-(bromomethyl)-1-(4-methoxybutyl)pyrrolidine?
2-(bromomethyl)-1-(4-methoxybutyl)pyrrolidine has a molecular weight of 250.18 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-(4-methoxybutyl)pyrrolidine is sourced from PubChem (CID 104649764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).