3-(bromomethyl)-1-(3-methoxycyclohexyl)azetidine

C11H20BrNO — CID 130531234

IUPAC3-(bromomethyl)-1-(3-methoxycyclohexyl)azetidine
SMILESCOC1CCCC(N2CC(CBr)C2)C1
InChIInChI=1S/C11H20BrNO/c1-14-11-4-2-3-10(5-11)13-7-9(6-12)8-13/h9-11H,2-8H2,1H3
InChIKeyMOAAOGYYPZGUBJ-UHFFFAOYSA-N
MW262.19 g/mol
LogP2.27
Rot. Bonds3

About 3-(bromomethyl)-1-(3-methoxycyclohexyl)azetidine

3-(bromomethyl)-1-(3-methoxycyclohexyl)azetidine (PubChem CID 130531234) has the molecular formula C11H20BrNO and a molecular weight of 262.19 g/mol. Its IUPAC name is 3-(bromomethyl)-1-(3-methoxycyclohexyl)azetidine.

Molecular Properties

Compound Name3-(bromomethyl)-1-(3-methoxycyclohexyl)azetidine
PubChem CID130531234
Molecular FormulaC11H20BrNO
Molecular Weight262.19 g/mol
Exact Mass261.07
IUPAC Name3-(bromomethyl)-1-(3-methoxycyclohexyl)azetidine
SMILESCOC1CCCC(N2CC(CBr)C2)C1
InChIInChI=1S/C11H20BrNO/c1-14-11-4-2-3-10(5-11)13-7-9(6-12)8-13/h9-11H,2-8H2,1H3
InChIKeyMOAAOGYYPZGUBJ-UHFFFAOYSA-N
XLogP2.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-1-(3-methoxycyclohexyl)azetidine?
The IUPAC name of 3-(bromomethyl)-1-(3-methoxycyclohexyl)azetidine (CID 130531234) is 3-(bromomethyl)-1-(3-methoxycyclohexyl)azetidine.
What is the SMILES notation for 3-(bromomethyl)-1-(3-methoxycyclohexyl)azetidine?
The canonical SMILES for 3-(bromomethyl)-1-(3-methoxycyclohexyl)azetidine is COC1CCCC(N2CC(CBr)C2)C1.
What is the InChIKey of 3-(bromomethyl)-1-(3-methoxycyclohexyl)azetidine?
The InChIKey is MOAAOGYYPZGUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO/c1-14-11-4-2-3-10(5-11)13-7-9(6-12)8-13/h9-11H,2-8H2,1H3.
What are the key properties of 3-(bromomethyl)-1-(3-methoxycyclohexyl)azetidine?
3-(bromomethyl)-1-(3-methoxycyclohexyl)azetidine has a molecular weight of 262.19 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-1-(3-methoxycyclohexyl)azetidine is sourced from PubChem (CID 130531234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).