2-adamantyl-[2-(chloromethyl)-5-methylmorpholin-4-yl]methanone

C17H26ClNO2 — CID 81213790

IUPAC2-adamantyl-[2-(chloromethyl)-5-methylmorpholin-4-yl]methanone
SMILESCC1COC(CCl)CN1C(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H26ClNO2/c1-10-9-21-15(7-18)8-19(10)17(20)16-13-3-11-2-12(5-13)6-14(16)4-11/h10-16H,2-9H2,1H3
InChIKeyOHEXWDDXPFXHSD-UHFFFAOYSA-N
MW311.85 g/mol
LogP2.91
Rot. Bonds2

About 2-adamantyl-[2-(chloromethyl)-5-methylmorpholin-4-yl]methanone

2-adamantyl-[2-(chloromethyl)-5-methylmorpholin-4-yl]methanone (PubChem CID 81213790) has the molecular formula C17H26ClNO2 and a molecular weight of 311.85 g/mol. Its IUPAC name is 2-adamantyl-[2-(chloromethyl)-5-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name2-adamantyl-[2-(chloromethyl)-5-methylmorpholin-4-yl]methanone
PubChem CID81213790
Molecular FormulaC17H26ClNO2
Molecular Weight311.85 g/mol
Exact Mass311.17
IUPAC Name2-adamantyl-[2-(chloromethyl)-5-methylmorpholin-4-yl]methanone
SMILESCC1COC(CCl)CN1C(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H26ClNO2/c1-10-9-21-15(7-18)8-19(10)17(20)16-13-3-11-2-12(5-13)6-14(16)4-11/h10-16H,2-9H2,1H3
InChIKeyOHEXWDDXPFXHSD-UHFFFAOYSA-N
XLogP2.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-adamantyl-[2-(chloromethyl)-5-methylmorpholin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-adamantyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81196297
[2-(chloromethyl)-5-methylmorpholin-4-yl]-cyclohexylmethanone
CID 81211556
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(oxan-3-yl)methanone
CID 81211312
1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-3-methylbutan-1-one
CID 81211802
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(thiolan-3-yl)methanone
CID 81212140
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(thiolan-2-yl)methanone
CID 81211726
2-bicyclo[2.2.1]heptanyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81208049
1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclobutylethanone
CID 103166687
1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-cyclohexylethanone
CID 81212285
1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-3-cyclopentylpropan-1-one
CID 81212550
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetic acid
CID 81208191
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(furan-3-yl)methanone
CID 81212545

Frequently Asked Questions

What is the IUPAC name of 2-adamantyl-[2-(chloromethyl)-5-methylmorpholin-4-yl]methanone?
The IUPAC name of 2-adamantyl-[2-(chloromethyl)-5-methylmorpholin-4-yl]methanone (CID 81213790) is 2-adamantyl-[2-(chloromethyl)-5-methylmorpholin-4-yl]methanone.
What is the SMILES notation for 2-adamantyl-[2-(chloromethyl)-5-methylmorpholin-4-yl]methanone?
The canonical SMILES for 2-adamantyl-[2-(chloromethyl)-5-methylmorpholin-4-yl]methanone is CC1COC(CCl)CN1C(=O)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-adamantyl-[2-(chloromethyl)-5-methylmorpholin-4-yl]methanone?
The InChIKey is OHEXWDDXPFXHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO2/c1-10-9-21-15(7-18)8-19(10)17(20)16-13-3-11-2-12(5-13)6-14(16)4-11/h10-16H,2-9H2,1H3.
What are the key properties of 2-adamantyl-[2-(chloromethyl)-5-methylmorpholin-4-yl]methanone?
2-adamantyl-[2-(chloromethyl)-5-methylmorpholin-4-yl]methanone has a molecular weight of 311.85 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl-[2-(chloromethyl)-5-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 81213790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).