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

C16H28ClNO2 — CID 107184448

IUPAC[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2,2-dimethylcyclohexyl)methanone
SMILESCC1(C)CN(C(=O)C2CCCCC2(C)C)CC(CCl)O1
InChIInChI=1S/C16H28ClNO2/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
InChIKeyHUFCNPMUAXLUHK-UHFFFAOYSA-N
MW301.86 g/mol
LogP3.45
Rot. Bonds2

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

[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2,2-dimethylcyclohexyl)methanone (PubChem CID 107184448) has the molecular formula C16H28ClNO2 and a molecular weight of 301.86 g/mol. Its IUPAC name is [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2,2-dimethylcyclohexyl)methanone.

Molecular Properties

Compound Name[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2,2-dimethylcyclohexyl)methanone
PubChem CID107184448
Molecular FormulaC16H28ClNO2
Molecular Weight301.86 g/mol
Exact Mass301.18
IUPAC Name[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2,2-dimethylcyclohexyl)methanone
SMILESCC1(C)CN(C(=O)C2CCCCC2(C)C)CC(CCl)O1
InChIInChI=1S/C16H28ClNO2/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
InChIKeyHUFCNPMUAXLUHK-UHFFFAOYSA-N
XLogP3.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.86
LogP ≤ 53.45
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-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107184453
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-2-cycloheptylethanone
CID 114781363
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one
CID 114781310
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(oxolan-3-yl)methanone
CID 114781292
[4-(chloromethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107183885
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(thiolan-2-yl)methanone
CID 114778295
[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-spiro[2.2]pentan-2-ylmethanone
CID 166238347
[4-(2-chloroethoxy)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107184260
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]heptan-1-one
CID 114781375
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone
CID 114781210
6-(chloromethyl)-4-cyclohexyl-2,2-dimethylmorpholine
CID 114780530
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone
CID 114781126

Frequently Asked Questions

What is the IUPAC name of [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2,2-dimethylcyclohexyl)methanone?
The IUPAC name of [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2,2-dimethylcyclohexyl)methanone (CID 107184448) is [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2,2-dimethylcyclohexyl)methanone.
What is the SMILES notation for [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2,2-dimethylcyclohexyl)methanone?
The canonical SMILES for [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2,2-dimethylcyclohexyl)methanone is CC1(C)CN(C(=O)C2CCCCC2(C)C)CC(CCl)O1.
What is the InChIKey of [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2,2-dimethylcyclohexyl)methanone?
The InChIKey is HUFCNPMUAXLUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClNO2/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-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2,2-dimethylcyclohexyl)methanone?
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2,2-dimethylcyclohexyl)methanone has a molecular weight of 301.86 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2,2-dimethylcyclohexyl)methanone is sourced from PubChem (CID 107184448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).