1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one;hydrochloride

C17H28ClNO2 — CID 24746871

IUPAC1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one;hydrochloride
SMILESCC(C(=O)C12CC3CC(CC(C3)C1)C2)N1CCOCC1.Cl
InChIInChI=1S/C17H27NO2.ClH/c1-12(18-2-4-20-5-3-18)16(19)17-9-13-6-14(10-17)8-15(7-13)11-17;/h12-15H,2-11H2,1H3;1H
InChIKeyROGBQDRHNHSZFS-UHFFFAOYSA-N
MW313.87 g/mol
LogP2.91
Rot. Bonds3

About 1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one;hydrochloride

1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one;hydrochloride (PubChem CID 24746871) has the molecular formula C17H28ClNO2 and a molecular weight of 313.87 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one;hydrochloride
PubChem CID24746871
Molecular FormulaC17H28ClNO2
Molecular Weight313.87 g/mol
Exact Mass313.18
IUPAC Name1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one;hydrochloride
SMILESCC(C(=O)C12CC3CC(CC(C3)C1)C2)N1CCOCC1.Cl
InChIInChI=1S/C17H27NO2.ClH/c1-12(18-2-4-20-5-3-18)16(19)17-9-13-6-14(10-17)8-15(7-13)11-17;/h12-15H,2-11H2,1H3;1H
InChIKeyROGBQDRHNHSZFS-UHFFFAOYSA-N
XLogP2.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.87
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-((3r,5r,7r)-Adamantan-1-yl)-2-((2-methoxyethyl)amino)propan-1-one hydrochloride
CID 2850439
1-Propanone, 1-(1-adamantyl)-3-morpholino-, hydrochloride
CID 64176
1-(Adamantan-1-yl)-2-(morpholin-4-yl)ethan-1-one
CID 2728853
1-(1-Adamantyl)-2-morpholin-4-ylpropan-1-one
CID 3110950
3-(1-Adamantyl)-1-morpholylpropan-3-one
CID 64177
3,5-Dimethyladamantanyl 2,6-dimethylmorpholin-4-yl ketone
CID 6467638
1-(1-Adamantyl)-2-(2-methoxyethylamino)propan-1-one
CID 660986
1-[4-[4-[2-Fluoro-4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 90054942
1-[4-[4-[2-Fluoro-4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 135266508
4-(3,5-Dimethyladamantane-1-carbonyl)morpholine
CID 2918656
1-(Adamantan-1-yl)-2-(morpholin-4-yl)ethanone hydrochloride
CID 2836036
2-Morpholin-4-yl-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride
CID 2874633

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one;hydrochloride?
The IUPAC name of 1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one;hydrochloride (CID 24746871) is 1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one;hydrochloride?
The canonical SMILES for 1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one;hydrochloride is CC(C(=O)C12CC3CC(CC(C3)C1)C2)N1CCOCC1.Cl.
What is the InChIKey of 1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one;hydrochloride?
The InChIKey is ROGBQDRHNHSZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2.ClH/c1-12(18-2-4-20-5-3-18)16(19)17-9-13-6-14(10-17)8-15(7-13)11-17;/h12-15H,2-11H2,1H3;1H.
What are the key properties of 1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one;hydrochloride?
1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one;hydrochloride has a molecular weight of 313.87 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 24746871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).