4-bromo-1-butan-2-yl-3,3-dimethylpyrrolidine

C10H20BrN — CID 130949541

IUPAC4-bromo-1-butan-2-yl-3,3-dimethylpyrrolidine
SMILESCCC(C)N1CC(Br)C(C)(C)C1
InChIInChI=1S/C10H20BrN/c1-5-8(2)12-6-9(11)10(3,4)7-12/h8-9H,5-7H2,1-4H3
InChIKeyFNVMZPUKAXLVBR-UHFFFAOYSA-N
MW234.18 g/mol
LogP2.89
Rot. Bonds2

About 4-bromo-1-butan-2-yl-3,3-dimethylpyrrolidine

4-bromo-1-butan-2-yl-3,3-dimethylpyrrolidine (PubChem CID 130949541) has the molecular formula C10H20BrN and a molecular weight of 234.18 g/mol. Its IUPAC name is 4-bromo-1-butan-2-yl-3,3-dimethylpyrrolidine.

Molecular Properties

Compound Name4-bromo-1-butan-2-yl-3,3-dimethylpyrrolidine
PubChem CID130949541
Molecular FormulaC10H20BrN
Molecular Weight234.18 g/mol
Exact Mass233.08
IUPAC Name4-bromo-1-butan-2-yl-3,3-dimethylpyrrolidine
SMILESCCC(C)N1CC(Br)C(C)(C)C1
InChIInChI=1S/C10H20BrN/c1-5-8(2)12-6-9(11)10(3,4)7-12/h8-9H,5-7H2,1-4H3
InChIKeyFNVMZPUKAXLVBR-UHFFFAOYSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 52.89
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

1-butan-2-yl-3-methylpyrrolidine-3,4-diol
CID 167257793
5-bromo-1-butan-2-yl-3,3-dimethylazepane
CID 130933849
3-bromo-1-butan-2-ylpyrrolidine
CID 80675941
2-(1-butan-2-yl-3,3-dimethylpiperidin-4-yl)ethanamine
CID 117024779
2-butan-2-yl-6,6-difluoro-2-azaspiro[3.3]heptane
CID 130621001
2-(1-butan-2-yl-4,4-dimethylpiperidin-3-yl)acetic acid
CID 117025525
1-butan-2-yl-3-chloropyrrolidine
CID 79445434
1-butan-2-yl-N-methylazetidin-3-amine
CID 117002866
4,10-di(butan-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane
CID 162493112
4-hexyl-3,3-dimethyl-1-pentan-2-ylpyrrolidine
CID 91396905
1-butan-2-yl-4-tert-butyl-4-methylpiperidine
CID 174167928
1-butan-2-yl-3-chloro-5-methylpiperidine
CID 130802847

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-butan-2-yl-3,3-dimethylpyrrolidine?
The IUPAC name of 4-bromo-1-butan-2-yl-3,3-dimethylpyrrolidine (CID 130949541) is 4-bromo-1-butan-2-yl-3,3-dimethylpyrrolidine.
What is the SMILES notation for 4-bromo-1-butan-2-yl-3,3-dimethylpyrrolidine?
The canonical SMILES for 4-bromo-1-butan-2-yl-3,3-dimethylpyrrolidine is CCC(C)N1CC(Br)C(C)(C)C1.
What is the InChIKey of 4-bromo-1-butan-2-yl-3,3-dimethylpyrrolidine?
The InChIKey is FNVMZPUKAXLVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrN/c1-5-8(2)12-6-9(11)10(3,4)7-12/h8-9H,5-7H2,1-4H3.
What are the key properties of 4-bromo-1-butan-2-yl-3,3-dimethylpyrrolidine?
4-bromo-1-butan-2-yl-3,3-dimethylpyrrolidine has a molecular weight of 234.18 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-butan-2-yl-3,3-dimethylpyrrolidine is sourced from PubChem (CID 130949541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).