5-(diethylamino)adamantane-1,3-diol

C14H25NO2 — CID 22463517

IUPAC5-(diethylamino)adamantane-1,3-diol
SMILESCCN(CC)C12CC3CC(O)(CC(O)(C3)C1)C2
InChIInChI=1S/C14H25NO2/c1-3-15(4-2)12-5-11-6-13(16,8-12)10-14(17,7-11)9-12/h11,16-17H,3-10H2,1-2H3
InChIKeyXDLOVYIMNWAHRP-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.53
Rot. Bonds3

About 5-(diethylamino)adamantane-1,3-diol

5-(diethylamino)adamantane-1,3-diol (PubChem CID 22463517) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 5-(diethylamino)adamantane-1,3-diol.

Molecular Properties

Compound Name5-(diethylamino)adamantane-1,3-diol
PubChem CID22463517
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name5-(diethylamino)adamantane-1,3-diol
SMILESCCN(CC)C12CC3CC(O)(CC(O)(C3)C1)C2
InChIInChI=1S/C14H25NO2/c1-3-15(4-2)12-5-11-6-13(16,8-12)10-14(17,7-11)9-12/h11,16-17H,3-10H2,1-2H3
InChIKeyXDLOVYIMNWAHRP-UHFFFAOYSA-N
XLogP1.53
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)adamantane-1,3-diol?
The IUPAC name of 5-(diethylamino)adamantane-1,3-diol (CID 22463517) is 5-(diethylamino)adamantane-1,3-diol.
What is the SMILES notation for 5-(diethylamino)adamantane-1,3-diol?
The canonical SMILES for 5-(diethylamino)adamantane-1,3-diol is CCN(CC)C12CC3CC(O)(CC(O)(C3)C1)C2.
What is the InChIKey of 5-(diethylamino)adamantane-1,3-diol?
The InChIKey is XDLOVYIMNWAHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-15(4-2)12-5-11-6-13(16,8-12)10-14(17,7-11)9-12/h11,16-17H,3-10H2,1-2H3.
What are the key properties of 5-(diethylamino)adamantane-1,3-diol?
5-(diethylamino)adamantane-1,3-diol has a molecular weight of 239.36 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)adamantane-1,3-diol is sourced from PubChem (CID 22463517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).