1-(1-adamantyl)-2-morpholin-4-ylethanol

C16H27NO2 — CID 2853413

IUPAC1-(1-adamantyl)-2-morpholin-4-ylethanol
SMILESOC(CN1CCOCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27NO2/c18-15(11-17-1-3-19-4-2-17)16-8-12-5-13(9-16)7-14(6-12)10-16/h12-15,18H,1-11H2
InChIKeyBABHMWLFTDIKCA-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.90
Rot. Bonds3

About 1-(1-adamantyl)-2-morpholin-4-ylethanol

1-(1-adamantyl)-2-morpholin-4-ylethanol (PubChem CID 2853413) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-morpholin-4-ylethanol.

Molecular Properties

Compound Name1-(1-adamantyl)-2-morpholin-4-ylethanol
PubChem CID2853413
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(1-adamantyl)-2-morpholin-4-ylethanol
SMILESOC(CN1CCOCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27NO2/c18-15(11-17-1-3-19-4-2-17)16-8-12-5-13(9-16)7-14(6-12)10-16/h12-15,18H,1-11H2
InChIKeyBABHMWLFTDIKCA-UHFFFAOYSA-N
XLogP1.90
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-morpholin-4-ylethanol?
The IUPAC name of 1-(1-adamantyl)-2-morpholin-4-ylethanol (CID 2853413) is 1-(1-adamantyl)-2-morpholin-4-ylethanol.
What is the SMILES notation for 1-(1-adamantyl)-2-morpholin-4-ylethanol?
The canonical SMILES for 1-(1-adamantyl)-2-morpholin-4-ylethanol is OC(CN1CCOCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2-morpholin-4-ylethanol?
The InChIKey is BABHMWLFTDIKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c18-15(11-17-1-3-19-4-2-17)16-8-12-5-13(9-16)7-14(6-12)10-16/h12-15,18H,1-11H2.
What are the key properties of 1-(1-adamantyl)-2-morpholin-4-ylethanol?
1-(1-adamantyl)-2-morpholin-4-ylethanol has a molecular weight of 265.40 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-morpholin-4-ylethanol is sourced from PubChem (CID 2853413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).