2-(bromomethyl)-4-(cyclohexylmethyl)-6-methylmorpholine

C13H24BrNO — CID 102936836

IUPAC2-(bromomethyl)-4-(cyclohexylmethyl)-6-methylmorpholine
SMILESCC1CN(CC2CCCCC2)CC(CBr)O1
InChIInChI=1S/C13H24BrNO/c1-11-8-15(10-13(7-14)16-11)9-12-5-3-2-4-6-12/h11-13H,2-10H2,1H3
InChIKeyAXZBTPRFFYHPFQ-UHFFFAOYSA-N
MW290.24 g/mol
LogP3.05
Rot. Bonds3

About 2-(bromomethyl)-4-(cyclohexylmethyl)-6-methylmorpholine

2-(bromomethyl)-4-(cyclohexylmethyl)-6-methylmorpholine (PubChem CID 102936836) has the molecular formula C13H24BrNO and a molecular weight of 290.24 g/mol. Its IUPAC name is 2-(bromomethyl)-4-(cyclohexylmethyl)-6-methylmorpholine.

Molecular Properties

Compound Name2-(bromomethyl)-4-(cyclohexylmethyl)-6-methylmorpholine
PubChem CID102936836
Molecular FormulaC13H24BrNO
Molecular Weight290.24 g/mol
Exact Mass289.10
IUPAC Name2-(bromomethyl)-4-(cyclohexylmethyl)-6-methylmorpholine
SMILESCC1CN(CC2CCCCC2)CC(CBr)O1
InChIInChI=1S/C13H24BrNO/c1-11-8-15(10-13(7-14)16-11)9-12-5-3-2-4-6-12/h11-13H,2-10H2,1H3
InChIKeyAXZBTPRFFYHPFQ-UHFFFAOYSA-N
XLogP3.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 53.05
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 2-(bromomethyl)-4-(cyclohexylmethyl)-6-methylmorpholine?
The IUPAC name of 2-(bromomethyl)-4-(cyclohexylmethyl)-6-methylmorpholine (CID 102936836) is 2-(bromomethyl)-4-(cyclohexylmethyl)-6-methylmorpholine.
What is the SMILES notation for 2-(bromomethyl)-4-(cyclohexylmethyl)-6-methylmorpholine?
The canonical SMILES for 2-(bromomethyl)-4-(cyclohexylmethyl)-6-methylmorpholine is CC1CN(CC2CCCCC2)CC(CBr)O1.
What is the InChIKey of 2-(bromomethyl)-4-(cyclohexylmethyl)-6-methylmorpholine?
The InChIKey is AXZBTPRFFYHPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO/c1-11-8-15(10-13(7-14)16-11)9-12-5-3-2-4-6-12/h11-13H,2-10H2,1H3.
What are the key properties of 2-(bromomethyl)-4-(cyclohexylmethyl)-6-methylmorpholine?
2-(bromomethyl)-4-(cyclohexylmethyl)-6-methylmorpholine has a molecular weight of 290.24 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-(cyclohexylmethyl)-6-methylmorpholine is sourced from PubChem (CID 102936836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).