3-(bromomethyl)-1-(2-butoxyethyl)pyrrolidine

C11H22BrNO — CID 80691458

IUPAC3-(bromomethyl)-1-(2-butoxyethyl)pyrrolidine
SMILESCCCCOCCN1CCC(CBr)C1
InChIInChI=1S/C11H22BrNO/c1-2-3-7-14-8-6-13-5-4-11(9-12)10-13/h11H,2-10H2,1H3
InChIKeyDYBBOIJUIXWOPS-UHFFFAOYSA-N
MW264.21 g/mol
LogP2.52
Rot. Bonds7

About 3-(bromomethyl)-1-(2-butoxyethyl)pyrrolidine

3-(bromomethyl)-1-(2-butoxyethyl)pyrrolidine (PubChem CID 80691458) has the molecular formula C11H22BrNO and a molecular weight of 264.21 g/mol. Its IUPAC name is 3-(bromomethyl)-1-(2-butoxyethyl)pyrrolidine.

Molecular Properties

Compound Name3-(bromomethyl)-1-(2-butoxyethyl)pyrrolidine
PubChem CID80691458
Molecular FormulaC11H22BrNO
Molecular Weight264.21 g/mol
Exact Mass263.09
IUPAC Name3-(bromomethyl)-1-(2-butoxyethyl)pyrrolidine
SMILESCCCCOCCN1CCC(CBr)C1
InChIInChI=1S/C11H22BrNO/c1-2-3-7-14-8-6-13-5-4-11(9-12)10-13/h11H,2-10H2,1H3
InChIKeyDYBBOIJUIXWOPS-UHFFFAOYSA-N
XLogP2.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 52.52
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'}

Analyze 3-(bromomethyl)-1-(2-butoxyethyl)pyrrolidine 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-[1-(2-butoxyethyl)pyrrolidin-3-yl]ethanamine
CID 114802527
3-(bromomethyl)-1-pentylpiperidine
CID 80679758
4-bromo-1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-methylpiperidine
CID 114682409
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]piperidin-4-amine
CID 104560351
4-(bromomethyl)-1-[2-(3-methylbutoxy)ethyl]piperidine
CID 80676918
1-(2-butoxyethyl)azetidin-3-amine
CID 63760521
4-(bromomethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
CID 104567260
2-[1-(2-propoxyethyl)pyrrolidin-3-yl]ethanol
CID 106456274
1-(2-butoxyethyl)-3-(2-chloroethyl)piperidine
CID 63388194
1-(2-butoxyethyl)piperidin-4-ol
CID 61067988
3-(bromomethyl)-1-[2-(4-methoxyphenoxy)ethyl]pyrrolidine
CID 80691311
1,3,5-tris(2-butoxyethyl)-1,3,5-triazinane
CID 142761173

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-1-(2-butoxyethyl)pyrrolidine?
The IUPAC name of 3-(bromomethyl)-1-(2-butoxyethyl)pyrrolidine (CID 80691458) is 3-(bromomethyl)-1-(2-butoxyethyl)pyrrolidine.
What is the SMILES notation for 3-(bromomethyl)-1-(2-butoxyethyl)pyrrolidine?
The canonical SMILES for 3-(bromomethyl)-1-(2-butoxyethyl)pyrrolidine is CCCCOCCN1CCC(CBr)C1.
What is the InChIKey of 3-(bromomethyl)-1-(2-butoxyethyl)pyrrolidine?
The InChIKey is DYBBOIJUIXWOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO/c1-2-3-7-14-8-6-13-5-4-11(9-12)10-13/h11H,2-10H2,1H3.
What are the key properties of 3-(bromomethyl)-1-(2-butoxyethyl)pyrrolidine?
3-(bromomethyl)-1-(2-butoxyethyl)pyrrolidine has a molecular weight of 264.21 g/mol, XLogP of 2.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-1-(2-butoxyethyl)pyrrolidine is sourced from PubChem (CID 80691458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).