1-[[1-(bromomethyl)cyclopentyl]methyl]azetidine

C10H18BrN — CID 130548196

IUPAC1-[[1-(bromomethyl)cyclopentyl]methyl]azetidine
SMILESBrCC1(CN2CCC2)CCCC1
InChIInChI=1S/C10H18BrN/c11-8-10(4-1-2-5-10)9-12-6-3-7-12/h1-9H2
InChIKeyMYTWEWJCWPHLPQ-UHFFFAOYSA-N
MW232.16 g/mol
LogP2.65
Rot. Bonds3

About 1-[[1-(bromomethyl)cyclopentyl]methyl]azetidine

1-[[1-(bromomethyl)cyclopentyl]methyl]azetidine (PubChem CID 130548196) has the molecular formula C10H18BrN and a molecular weight of 232.16 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclopentyl]methyl]azetidine.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclopentyl]methyl]azetidine
PubChem CID130548196
Molecular FormulaC10H18BrN
Molecular Weight232.16 g/mol
Exact Mass231.06
IUPAC Name1-[[1-(bromomethyl)cyclopentyl]methyl]azetidine
SMILESBrCC1(CN2CCC2)CCCC1
InChIInChI=1S/C10H18BrN/c11-8-10(4-1-2-5-10)9-12-6-3-7-12/h1-9H2
InChIKeyMYTWEWJCWPHLPQ-UHFFFAOYSA-N
XLogP2.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 52.65
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-[[1-(bromomethyl)cyclopropyl]methyl]azepane
CID 65013717
4-[[1-(bromomethyl)cyclopentyl]methyl]-1,4-oxazepane
CID 65002858
4-[[1-(bromomethyl)cyclohexyl]methyl]-1,4-thiazepane
CID 65002174
4-[[1-(bromomethyl)cyclohexyl]methyl]-1,4-oxazepane
CID 65006636
1-[[1-(bromomethyl)cyclopentyl]methyl]piperidin-4-ol
CID 65001565
1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylazepan-4-ol
CID 107407618
1-[[4-(bromomethyl)oxan-4-yl]methyl]pyrrolidine
CID 65004744
1-[4-[[1-(bromomethyl)cycloheptyl]methyl]-1,4-diazepan-1-yl]ethanone
CID 65009984
1-[[1-(bromomethyl)cycloheptyl]methyl]-4-cyclopropylpiperazine
CID 65009981
1-[[1-(bromomethyl)cycloheptyl]methyl]-N,N-dimethylpiperidin-4-amine
CID 65010468
1-[[1-(bromomethyl)cyclopropyl]methyl]-4,4-dimethylazepane
CID 65283132
1-[[1-(bromomethyl)cycloheptyl]methyl]-4-methylsulfanylpiperidine
CID 114237774

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cyclopentyl]methyl]azetidine?
The IUPAC name of 1-[[1-(bromomethyl)cyclopentyl]methyl]azetidine (CID 130548196) is 1-[[1-(bromomethyl)cyclopentyl]methyl]azetidine.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclopentyl]methyl]azetidine?
The canonical SMILES for 1-[[1-(bromomethyl)cyclopentyl]methyl]azetidine is BrCC1(CN2CCC2)CCCC1.
What is the InChIKey of 1-[[1-(bromomethyl)cyclopentyl]methyl]azetidine?
The InChIKey is MYTWEWJCWPHLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN/c11-8-10(4-1-2-5-10)9-12-6-3-7-12/h1-9H2.
What are the key properties of 1-[[1-(bromomethyl)cyclopentyl]methyl]azetidine?
1-[[1-(bromomethyl)cyclopentyl]methyl]azetidine has a molecular weight of 232.16 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclopentyl]methyl]azetidine is sourced from PubChem (CID 130548196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).