1-(2-bromoethyl)-2-ethylpyrrolidine

C8H16BrN — CID 61288740

IUPAC1-(2-bromoethyl)-2-ethylpyrrolidine
SMILESCCC1CCCN1CCBr
InChIInChI=1S/C8H16BrN/c1-2-8-4-3-6-10(8)7-5-9/h8H,2-7H2,1H3
InChIKeyZEMAOXWNPXKFRW-UHFFFAOYSA-N
MW206.13 g/mol
LogP2.26
Rot. Bonds3

About 1-(2-bromoethyl)-2-ethylpyrrolidine

1-(2-bromoethyl)-2-ethylpyrrolidine (PubChem CID 61288740) has the molecular formula C8H16BrN and a molecular weight of 206.13 g/mol. Its IUPAC name is 1-(2-bromoethyl)-2-ethylpyrrolidine.

Molecular Properties

Compound Name1-(2-bromoethyl)-2-ethylpyrrolidine
PubChem CID61288740
Molecular FormulaC8H16BrN
Molecular Weight206.13 g/mol
Exact Mass205.05
IUPAC Name1-(2-bromoethyl)-2-ethylpyrrolidine
SMILESCCC1CCCN1CCBr
InChIInChI=1S/C8H16BrN/c1-2-8-4-3-6-10(8)7-5-9/h8H,2-7H2,1H3
InChIKeyZEMAOXWNPXKFRW-UHFFFAOYSA-N
XLogP2.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.13
LogP ≤ 52.26
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-ethyl-1-propylpyrrolidine;hydrochloride
CID 175875106
2-ethyl-1-undecylpyrrolidine
CID 171569857
1,2-diethylpyrrolidine;hydrochloride
CID 175060343
1-(cyclopropylmethyl)-2-ethylpyrrolidine
CID 59900579
1,2-diethylpiperidine
CID 19604037
(2S)-2,5-diethyl-1-[(2-ethylpyrrolidin-1-yl)methyl]pyrrolidine
CID 143922765
1-(cyclopentylmethyl)-2-ethylpyrrolidine
CID 130627690
3-(2-ethylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 61386205
5-(2-ethylpyrrolidin-1-yl)-N-methylpentan-1-amine
CID 62438607
2-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine
CID 80675460
1-dodecyl-2-ethylpiperidine
CID 171569899
(2R)-2-ethyl-1-methylpyrrolidine;hydrofluoride
CID 162730747

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-2-ethylpyrrolidine?
The IUPAC name of 1-(2-bromoethyl)-2-ethylpyrrolidine (CID 61288740) is 1-(2-bromoethyl)-2-ethylpyrrolidine.
What is the SMILES notation for 1-(2-bromoethyl)-2-ethylpyrrolidine?
The canonical SMILES for 1-(2-bromoethyl)-2-ethylpyrrolidine is CCC1CCCN1CCBr.
What is the InChIKey of 1-(2-bromoethyl)-2-ethylpyrrolidine?
The InChIKey is ZEMAOXWNPXKFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrN/c1-2-8-4-3-6-10(8)7-5-9/h8H,2-7H2,1H3.
What are the key properties of 1-(2-bromoethyl)-2-ethylpyrrolidine?
1-(2-bromoethyl)-2-ethylpyrrolidine has a molecular weight of 206.13 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-2-ethylpyrrolidine is sourced from PubChem (CID 61288740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).