2-(2-bromopropyl)-1-ethylpyrrolidine

C9H18BrN — CID 130533962

IUPAC2-(2-bromopropyl)-1-ethylpyrrolidine
SMILESCCN1CCCC1CC(C)Br
InChIInChI=1S/C9H18BrN/c1-3-11-6-4-5-9(11)7-8(2)10/h8-9H,3-7H2,1-2H3
InChIKeySQRNFJMFXFUMLQ-UHFFFAOYSA-N
MW220.15 g/mol
LogP2.64
Rot. Bonds3

About 2-(2-bromopropyl)-1-ethylpyrrolidine

2-(2-bromopropyl)-1-ethylpyrrolidine (PubChem CID 130533962) has the molecular formula C9H18BrN and a molecular weight of 220.15 g/mol. Its IUPAC name is 2-(2-bromopropyl)-1-ethylpyrrolidine.

Molecular Properties

Compound Name2-(2-bromopropyl)-1-ethylpyrrolidine
PubChem CID130533962
Molecular FormulaC9H18BrN
Molecular Weight220.15 g/mol
Exact Mass219.06
IUPAC Name2-(2-bromopropyl)-1-ethylpyrrolidine
SMILESCCN1CCCC1CC(C)Br
InChIInChI=1S/C9H18BrN/c1-3-11-6-4-5-9(11)7-8(2)10/h8-9H,3-7H2,1-2H3
InChIKeySQRNFJMFXFUMLQ-UHFFFAOYSA-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'}

Analyze 2-(2-bromopropyl)-1-ethylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromopropyl)-1-ethylpiperidine
CID 126979306
1-ethyl-2-(2-methylpropyl)piperidine
CID 58904573
1-(1-ethylpiperidin-2-yl)propan-2-ol
CID 21153789
1-(1-ethylpiperidin-2-yl)-3-methylbutan-2-amine
CID 83982203
ethane;(1-ethylpyrrolidin-2-yl)methanamine
CID 142961136
[(2R)-1-ethylpyrrolidin-2-yl]methanamine;hydrochloride
CID 46738121
1,2-diethylpyrrolidine;hydrochloride
CID 175060343
ethane;(1-ethylpyrrolidin-2-yl)methanamine;methane
CID 142875932
2-(2-bromopropyl)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 112747898
2-(2-bromopropyl)-1-(3-pyrrolidin-1-ylpropyl)azepane
CID 112748032
ethane;1-ethyl-2-propylpyrrolidine
CID 143005022
1-ethyl-2-propylpyrrolidine;hydrofluoride
CID 175875195

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromopropyl)-1-ethylpyrrolidine?
The IUPAC name of 2-(2-bromopropyl)-1-ethylpyrrolidine (CID 130533962) is 2-(2-bromopropyl)-1-ethylpyrrolidine.
What is the SMILES notation for 2-(2-bromopropyl)-1-ethylpyrrolidine?
The canonical SMILES for 2-(2-bromopropyl)-1-ethylpyrrolidine is CCN1CCCC1CC(C)Br.
What is the InChIKey of 2-(2-bromopropyl)-1-ethylpyrrolidine?
The InChIKey is SQRNFJMFXFUMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrN/c1-3-11-6-4-5-9(11)7-8(2)10/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-(2-bromopropyl)-1-ethylpyrrolidine?
2-(2-bromopropyl)-1-ethylpyrrolidine 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 2-(2-bromopropyl)-1-ethylpyrrolidine is sourced from PubChem (CID 130533962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).