1-(1-adamantyl)-2-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone

C19H31NO2 — CID 95131710

IUPAC1-(1-adamantyl)-2-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone
SMILESC[C@H]1CN(CC(=O)C23CC4CC(CC(C4)C2)C3)CC(C)(C)O1
InChIInChI=1S/C19H31NO2/c1-13-10-20(12-18(2,3)22-13)11-17(21)19-7-14-4-15(8-19)6-16(5-14)9-19/h13-16H,4-12H2,1-3H3/t13-,14?,15?,16?,19?/m0/s1
InChIKeyMSHFNHZBVPJOKN-IWUURBKTSA-N
MW305.46 g/mol
LogP3.27
Rot. Bonds3

About 1-(1-adamantyl)-2-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone

1-(1-adamantyl)-2-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone (PubChem CID 95131710) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-(1-adamantyl)-2-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone
PubChem CID95131710
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name1-(1-adamantyl)-2-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone
SMILESC[C@H]1CN(CC(=O)C23CC4CC(CC(C4)C2)C3)CC(C)(C)O1
InChIInChI=1S/C19H31NO2/c1-13-10-20(12-18(2,3)22-13)11-17(21)19-7-14-4-15(8-19)6-16(5-14)9-19/h13-16H,4-12H2,1-3H3/t13-,14?,15?,16?,19?/m0/s1
InChIKeyMSHFNHZBVPJOKN-IWUURBKTSA-N
XLogP3.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone?
The IUPAC name of 1-(1-adamantyl)-2-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone (CID 95131710) is 1-(1-adamantyl)-2-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone.
What is the SMILES notation for 1-(1-adamantyl)-2-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone?
The canonical SMILES for 1-(1-adamantyl)-2-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone is C[C@H]1CN(CC(=O)C23CC4CC(CC(C4)C2)C3)CC(C)(C)O1.
What is the InChIKey of 1-(1-adamantyl)-2-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone?
The InChIKey is MSHFNHZBVPJOKN-IWUURBKTSA-N. The full InChI is InChI=1S/C19H31NO2/c1-13-10-20(12-18(2,3)22-13)11-17(21)19-7-14-4-15(8-19)6-16(5-14)9-19/h13-16H,4-12H2,1-3H3/t13-,14?,15?,16?,19?/m0/s1.
What are the key properties of 1-(1-adamantyl)-2-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone?
1-(1-adamantyl)-2-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone has a molecular weight of 305.46 g/mol, XLogP of 3.27, 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-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone is sourced from PubChem (CID 95131710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).