[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2,2-dimethylcyclohexyl)methanone

C16H28BrNO2 — CID 107184453

IUPAC[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2,2-dimethylcyclohexyl)methanone
SMILESCC1(C)CN(C(=O)C2CCCCC2(C)C)CC(CBr)O1
InChIInChI=1S/C16H28BrNO2/c1-15(2)8-6-5-7-13(15)14(19)18-10-12(9-17)20-16(3,4)11-18/h12-13H,5-11H2,1-4H3
InChIKeyGPBFCXCYMISYSD-UHFFFAOYSA-N
MW346.31 g/mol
LogP3.60
Rot. Bonds2

About [6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2,2-dimethylcyclohexyl)methanone

[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2,2-dimethylcyclohexyl)methanone (PubChem CID 107184453) has the molecular formula C16H28BrNO2 and a molecular weight of 346.31 g/mol. Its IUPAC name is [6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2,2-dimethylcyclohexyl)methanone.

Molecular Properties

Compound Name[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2,2-dimethylcyclohexyl)methanone
PubChem CID107184453
Molecular FormulaC16H28BrNO2
Molecular Weight346.31 g/mol
Exact Mass345.13
IUPAC Name[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2,2-dimethylcyclohexyl)methanone
SMILESCC1(C)CN(C(=O)C2CCCCC2(C)C)CC(CBr)O1
InChIInChI=1S/C16H28BrNO2/c1-15(2)8-6-5-7-13(15)14(19)18-10-12(9-17)20-16(3,4)11-18/h12-13H,5-11H2,1-4H3
InChIKeyGPBFCXCYMISYSD-UHFFFAOYSA-N
XLogP3.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107184448
[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(thiolan-2-yl)methanone
CID 114781440
[4-(bromomethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107183985
1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-2-cyclopropylethanone
CID 114781655
1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-3-(oxan-2-yl)propan-1-one
CID 114781501
[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 114781472
1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-2-ethylbutan-1-one
CID 114781639
[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(3,4-dimethylphenyl)methanone
CID 114781527
[2-(bromomethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107183977
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(thiolan-2-yl)methanone
CID 114778295
1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]nonan-1-one
CID 114781544
[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-spiro[2.2]pentan-2-ylmethanone
CID 166238347

Frequently Asked Questions

What is the IUPAC name of [6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2,2-dimethylcyclohexyl)methanone?
The IUPAC name of [6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2,2-dimethylcyclohexyl)methanone (CID 107184453) is [6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2,2-dimethylcyclohexyl)methanone.
What is the SMILES notation for [6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2,2-dimethylcyclohexyl)methanone?
The canonical SMILES for [6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2,2-dimethylcyclohexyl)methanone is CC1(C)CN(C(=O)C2CCCCC2(C)C)CC(CBr)O1.
What is the InChIKey of [6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2,2-dimethylcyclohexyl)methanone?
The InChIKey is GPBFCXCYMISYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28BrNO2/c1-15(2)8-6-5-7-13(15)14(19)18-10-12(9-17)20-16(3,4)11-18/h12-13H,5-11H2,1-4H3.
What are the key properties of [6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2,2-dimethylcyclohexyl)methanone?
[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2,2-dimethylcyclohexyl)methanone has a molecular weight of 346.31 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2,2-dimethylcyclohexyl)methanone is sourced from PubChem (CID 107184453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).