1-adamantyl-(3,5-dimethylmorpholin-4-yl)methanone

C17H27NO2 — CID 110292363

IUPAC1-adamantyl-(3,5-dimethylmorpholin-4-yl)methanone
SMILESCC1COCC(C)N1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H27NO2/c1-11-9-20-10-12(2)18(11)16(19)17-6-13-3-14(7-17)5-15(4-13)8-17/h11-15H,3-10H2,1-2H3
InChIKeyRBMYFQBFZOTRHZ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.84
Rot. Bonds1

About 1-adamantyl-(3,5-dimethylmorpholin-4-yl)methanone

1-adamantyl-(3,5-dimethylmorpholin-4-yl)methanone (PubChem CID 110292363) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-adamantyl-(3,5-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name1-adamantyl-(3,5-dimethylmorpholin-4-yl)methanone
PubChem CID110292363
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-adamantyl-(3,5-dimethylmorpholin-4-yl)methanone
SMILESCC1COCC(C)N1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H27NO2/c1-11-9-20-10-12(2)18(11)16(19)17-6-13-3-14(7-17)5-15(4-13)8-17/h11-15H,3-10H2,1-2H3
InChIKeyRBMYFQBFZOTRHZ-UHFFFAOYSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-adamantyl-(2-methylpyrrolidin-1-yl)methanone
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1-adamantyl-(2-methylpiperidin-1-yl)methanone
CID 2896597
1-adamantyl(1,4,7,10,13,16-hexaoxa-19-azacyclohenicos-19-yl)methanone
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CID 80670229
acetic acid;adamantane-1-carboxylic acid
CID 67530595
(4-methylpiperazin-1-yl)-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone
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1-[(3R,5S)-3,5-dimethylmorpholin-4-yl]propan-1-one
CID 118219644
adamantane-1-carboxylic acid;cobalt
CID 174948331
adamantane-1-carboxylic acid;hydrobromide
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1-adamantyl(1,3-oxazinan-3-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(3,5-dimethylmorpholin-4-yl)methanone?
The IUPAC name of 1-adamantyl-(3,5-dimethylmorpholin-4-yl)methanone (CID 110292363) is 1-adamantyl-(3,5-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for 1-adamantyl-(3,5-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for 1-adamantyl-(3,5-dimethylmorpholin-4-yl)methanone is CC1COCC(C)N1C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-(3,5-dimethylmorpholin-4-yl)methanone?
The InChIKey is RBMYFQBFZOTRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-11-9-20-10-12(2)18(11)16(19)17-6-13-3-14(7-17)5-15(4-13)8-17/h11-15H,3-10H2,1-2H3.
What are the key properties of 1-adamantyl-(3,5-dimethylmorpholin-4-yl)methanone?
1-adamantyl-(3,5-dimethylmorpholin-4-yl)methanone has a molecular weight of 277.41 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(3,5-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 110292363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).