1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]nonan-1-one

C16H30BrNO2 — CID 114781544

IUPAC1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]nonan-1-one
SMILESCCCCCCCCC(=O)N1CC(CBr)OC(C)(C)C1
InChIInChI=1S/C16H30BrNO2/c1-4-5-6-7-8-9-10-15(19)18-12-14(11-17)20-16(2,3)13-18/h14H,4-13H2,1-3H3
InChIKeyYDJDLFKHRYNMQU-UHFFFAOYSA-N
MW348.33 g/mol
LogP4.14
Rot. Bonds8

About 1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]nonan-1-one

1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]nonan-1-one (PubChem CID 114781544) has the molecular formula C16H30BrNO2 and a molecular weight of 348.33 g/mol. Its IUPAC name is 1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]nonan-1-one.

Molecular Properties

Compound Name1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]nonan-1-one
PubChem CID114781544
Molecular FormulaC16H30BrNO2
Molecular Weight348.33 g/mol
Exact Mass347.15
IUPAC Name1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]nonan-1-one
SMILESCCCCCCCCC(=O)N1CC(CBr)OC(C)(C)C1
InChIInChI=1S/C16H30BrNO2/c1-4-5-6-7-8-9-10-15(19)18-12-14(11-17)20-16(2,3)13-18/h14H,4-13H2,1-3H3
InChIKeyYDJDLFKHRYNMQU-UHFFFAOYSA-N
XLogP4.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]heptan-1-one
CID 114781375
1-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]decan-1-one
CID 114782057
6-(bromomethyl)-2,2-dimethyl-4-pentylmorpholine
CID 114780737
1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-3-(oxan-2-yl)propan-1-one
CID 114781501
1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-2-ethylbutan-1-one
CID 114781639
1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone
CID 114781637
1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-fluorophenyl)ethanone
CID 114781549
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one
CID 114781310
1-[4-(bromomethyl)piperidin-1-yl]nonan-1-one
CID 80677529
1-(3,4-dihydroxypyrrolidin-1-yl)octan-1-one
CID 86230613
1-(3-hydroxyazetidin-1-yl)dodecan-1-one
CID 65428081
1-(3-hydroxyazetidin-1-yl)nonan-1-one
CID 63105492

Frequently Asked Questions

What is the IUPAC name of 1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]nonan-1-one?
The IUPAC name of 1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]nonan-1-one (CID 114781544) is 1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]nonan-1-one.
What is the SMILES notation for 1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]nonan-1-one?
The canonical SMILES for 1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]nonan-1-one is CCCCCCCCC(=O)N1CC(CBr)OC(C)(C)C1.
What is the InChIKey of 1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]nonan-1-one?
The InChIKey is YDJDLFKHRYNMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30BrNO2/c1-4-5-6-7-8-9-10-15(19)18-12-14(11-17)20-16(2,3)13-18/h14H,4-13H2,1-3H3.
What are the key properties of 1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]nonan-1-one?
1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]nonan-1-one has a molecular weight of 348.33 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]nonan-1-one is sourced from PubChem (CID 114781544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).