1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]heptan-1-one

C14H26ClNO2 — CID 114781375

IUPAC1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]heptan-1-one
SMILESCCCCCCC(=O)N1CC(CCl)OC(C)(C)C1
InChIInChI=1S/C14H26ClNO2/c1-4-5-6-7-8-13(17)16-10-12(9-15)18-14(2,3)11-16/h12H,4-11H2,1-3H3
InChIKeyRHTXLGAONSOMGJ-UHFFFAOYSA-N
MW275.82 g/mol
LogP3.20
Rot. Bonds6

About 1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]heptan-1-one

1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]heptan-1-one (PubChem CID 114781375) has the molecular formula C14H26ClNO2 and a molecular weight of 275.82 g/mol. Its IUPAC name is 1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]heptan-1-one.

Molecular Properties

Compound Name1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]heptan-1-one
PubChem CID114781375
Molecular FormulaC14H26ClNO2
Molecular Weight275.82 g/mol
Exact Mass275.17
IUPAC Name1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]heptan-1-one
SMILESCCCCCCC(=O)N1CC(CCl)OC(C)(C)C1
InChIInChI=1S/C14H26ClNO2/c1-4-5-6-7-8-13(17)16-10-12(9-15)18-14(2,3)11-16/h12H,4-11H2,1-3H3
InChIKeyRHTXLGAONSOMGJ-UHFFFAOYSA-N
XLogP3.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 53.20
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-(bromomethyl)-2,2-dimethylmorpholin-4-yl]nonan-1-one
CID 114781544
1-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]decan-1-one
CID 114782057
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one
CID 114781310
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-4-thiophen-2-ylbutan-1-one
CID 114781333
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-2-cycloheptylethanone
CID 114781363
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-2-(4-chlorophenoxy)ethanone
CID 114781317
2-[3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-oxopropyl]sulfanylacetamide
CID 114778946
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone
CID 114781210
(6,6-dimethyl-4-octylmorpholin-2-yl)methanol
CID 114779668
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-2-(3-chlorophenyl)ethanone
CID 114781279
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107184448
1-(3-hydroxyazetidin-1-yl)dodecan-1-one
CID 65428081

Frequently Asked Questions

What is the IUPAC name of 1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]heptan-1-one?
The IUPAC name of 1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]heptan-1-one (CID 114781375) is 1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]heptan-1-one.
What is the SMILES notation for 1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]heptan-1-one?
The canonical SMILES for 1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]heptan-1-one is CCCCCCC(=O)N1CC(CCl)OC(C)(C)C1.
What is the InChIKey of 1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]heptan-1-one?
The InChIKey is RHTXLGAONSOMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClNO2/c1-4-5-6-7-8-13(17)16-10-12(9-15)18-14(2,3)11-16/h12H,4-11H2,1-3H3.
What are the key properties of 1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]heptan-1-one?
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]heptan-1-one has a molecular weight of 275.82 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]heptan-1-one is sourced from PubChem (CID 114781375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).