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

C12H21NO2 — CID 22463603

IUPAC5-(dimethylamino)adamantane-1,3-diol
SMILESCN(C)C12CC3CC(O)(CC(O)(C3)C1)C2
InChIInChI=1S/C12H21NO2/c1-13(2)10-3-9-4-11(14,6-10)8-12(15,5-9)7-10/h9,14-15H,3-8H2,1-2H3
InChIKeyFMCSNUUSQCOOBR-UHFFFAOYSA-N
MW211.30 g/mol
LogP0.75
Rot. Bonds1

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

5-(dimethylamino)adamantane-1,3-diol (PubChem CID 22463603) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 5-(dimethylamino)adamantane-1,3-diol.

Molecular Properties

Compound Name5-(dimethylamino)adamantane-1,3-diol
PubChem CID22463603
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name5-(dimethylamino)adamantane-1,3-diol
SMILESCN(C)C12CC3CC(O)(CC(O)(C3)C1)C2
InChIInChI=1S/C12H21NO2/c1-13(2)10-3-9-4-11(14,6-10)8-12(15,5-9)7-10/h9,14-15H,3-8H2,1-2H3
InChIKeyFMCSNUUSQCOOBR-UHFFFAOYSA-N
XLogP0.75
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)adamantane-1,3-diol?
The IUPAC name of 5-(dimethylamino)adamantane-1,3-diol (CID 22463603) is 5-(dimethylamino)adamantane-1,3-diol.
What is the SMILES notation for 5-(dimethylamino)adamantane-1,3-diol?
The canonical SMILES for 5-(dimethylamino)adamantane-1,3-diol is CN(C)C12CC3CC(O)(CC(O)(C3)C1)C2.
What is the InChIKey of 5-(dimethylamino)adamantane-1,3-diol?
The InChIKey is FMCSNUUSQCOOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-13(2)10-3-9-4-11(14,6-10)8-12(15,5-9)7-10/h9,14-15H,3-8H2,1-2H3.
What are the key properties of 5-(dimethylamino)adamantane-1,3-diol?
5-(dimethylamino)adamantane-1,3-diol has a molecular weight of 211.30 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)adamantane-1,3-diol is sourced from PubChem (CID 22463603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).