6-(bromomethyl)-2,2-dimethyl-4-pentylmorpholine

C12H24BrNO — CID 114780737

IUPAC6-(bromomethyl)-2,2-dimethyl-4-pentylmorpholine
SMILESCCCCCN1CC(CBr)OC(C)(C)C1
InChIInChI=1S/C12H24BrNO/c1-4-5-6-7-14-9-11(8-13)15-12(2,3)10-14/h11H,4-10H2,1-3H3
InChIKeyXXJJYENMRVDDTI-UHFFFAOYSA-N
MW278.23 g/mol
LogP3.05
Rot. Bonds5

About 6-(bromomethyl)-2,2-dimethyl-4-pentylmorpholine

6-(bromomethyl)-2,2-dimethyl-4-pentylmorpholine (PubChem CID 114780737) has the molecular formula C12H24BrNO and a molecular weight of 278.23 g/mol. Its IUPAC name is 6-(bromomethyl)-2,2-dimethyl-4-pentylmorpholine.

Molecular Properties

Compound Name6-(bromomethyl)-2,2-dimethyl-4-pentylmorpholine
PubChem CID114780737
Molecular FormulaC12H24BrNO
Molecular Weight278.23 g/mol
Exact Mass277.10
IUPAC Name6-(bromomethyl)-2,2-dimethyl-4-pentylmorpholine
SMILESCCCCCN1CC(CBr)OC(C)(C)C1
InChIInChI=1S/C12H24BrNO/c1-4-5-6-7-14-9-11(8-13)15-12(2,3)10-14/h11H,4-10H2,1-3H3
InChIKeyXXJJYENMRVDDTI-UHFFFAOYSA-N
XLogP3.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 53.05
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

(6,6-dimethyl-4-octylmorpholin-2-yl)methanol
CID 114779668
6-(bromomethyl)-4-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylmorpholine
CID 103184081
1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]nonan-1-one
CID 114781544
6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropyl)morpholine
CID 114780738
6-(bromomethyl)-2,2-dimethyl-4-(2-thiophen-3-ylethyl)morpholine
CID 114780725
6-(bromomethyl)-4-[2-(4-bromophenoxy)ethyl]-2,2-dimethylmorpholine
CID 114780794
6-(bromomethyl)-2,2-dimethyl-4-[2-(2-methylimidazol-1-yl)ethyl]morpholine
CID 114780779
(6R)-4-benzyl-6-(bromomethyl)-2,2-dimethylmorpholine
CID 154725513
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanol
CID 114779184
6-(bromomethyl)-4-[(2,3-difluorophenyl)methyl]-2,2-dimethylmorpholine
CID 114780679
4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-6-(bromomethyl)-2,2-dimethylmorpholine
CID 114780668
1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-2-ethylbutan-1-one
CID 114781639

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-2,2-dimethyl-4-pentylmorpholine?
The IUPAC name of 6-(bromomethyl)-2,2-dimethyl-4-pentylmorpholine (CID 114780737) is 6-(bromomethyl)-2,2-dimethyl-4-pentylmorpholine.
What is the SMILES notation for 6-(bromomethyl)-2,2-dimethyl-4-pentylmorpholine?
The canonical SMILES for 6-(bromomethyl)-2,2-dimethyl-4-pentylmorpholine is CCCCCN1CC(CBr)OC(C)(C)C1.
What is the InChIKey of 6-(bromomethyl)-2,2-dimethyl-4-pentylmorpholine?
The InChIKey is XXJJYENMRVDDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO/c1-4-5-6-7-14-9-11(8-13)15-12(2,3)10-14/h11H,4-10H2,1-3H3.
What are the key properties of 6-(bromomethyl)-2,2-dimethyl-4-pentylmorpholine?
6-(bromomethyl)-2,2-dimethyl-4-pentylmorpholine has a molecular weight of 278.23 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-2,2-dimethyl-4-pentylmorpholine is sourced from PubChem (CID 114780737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).