1-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylethanol

C18H31NO2 — CID 6460909

IUPAC1-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylethanol
SMILESCC12CC3CC(C)(C1)CC(C(O)CN1CCOCC1)(C3)C2
InChIInChI=1S/C18H31NO2/c1-16-7-14-8-17(2,11-16)13-18(9-14,12-16)15(20)10-19-3-5-21-6-4-19/h14-15,20H,3-13H2,1-2H3
InChIKeyYPJDTIFSLVJTDN-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.68
Rot. Bonds3

About 1-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylethanol

1-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylethanol (PubChem CID 6460909) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylethanol.

Molecular Properties

Compound Name1-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylethanol
PubChem CID6460909
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name1-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylethanol
SMILESCC12CC3CC(C)(C1)CC(C(O)CN1CCOCC1)(C3)C2
InChIInChI=1S/C18H31NO2/c1-16-7-14-8-17(2,11-16)13-18(9-14,12-16)15(20)10-19-3-5-21-6-4-19/h14-15,20H,3-13H2,1-2H3
InChIKeyYPJDTIFSLVJTDN-UHFFFAOYSA-N
XLogP2.68
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylethanol?
The IUPAC name of 1-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylethanol (CID 6460909) is 1-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylethanol.
What is the SMILES notation for 1-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylethanol?
The canonical SMILES for 1-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylethanol is CC12CC3CC(C)(C1)CC(C(O)CN1CCOCC1)(C3)C2.
What is the InChIKey of 1-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylethanol?
The InChIKey is YPJDTIFSLVJTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-16-7-14-8-17(2,11-16)13-18(9-14,12-16)15(20)10-19-3-5-21-6-4-19/h14-15,20H,3-13H2,1-2H3.
What are the key properties of 1-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylethanol?
1-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylethanol has a molecular weight of 293.45 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylethanol is sourced from PubChem (CID 6460909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).