3-[2-hydroxyethyl(methyl)amino]adamantan-1-ol

C13H23NO2 — CID 2846757

IUPAC3-[2-hydroxyethyl(methyl)amino]adamantan-1-ol
SMILESCN(CCO)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C13H23NO2/c1-14(2-3-15)12-5-10-4-11(6-12)8-13(16,7-10)9-12/h10-11,15-16H,2-9H2,1H3
InChIKeyTXSUXTDJUGMDLS-UHFFFAOYSA-N
MW225.33 g/mol
LogP0.99
Rot. Bonds3

About 3-[2-hydroxyethyl(methyl)amino]adamantan-1-ol

3-[2-hydroxyethyl(methyl)amino]adamantan-1-ol (PubChem CID 2846757) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(methyl)amino]adamantan-1-ol.

Molecular Properties

Compound Name3-[2-hydroxyethyl(methyl)amino]adamantan-1-ol
PubChem CID2846757
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name3-[2-hydroxyethyl(methyl)amino]adamantan-1-ol
SMILESCN(CCO)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C13H23NO2/c1-14(2-3-15)12-5-10-4-11(6-12)8-13(16,7-10)9-12/h10-11,15-16H,2-9H2,1H3
InChIKeyTXSUXTDJUGMDLS-UHFFFAOYSA-N
XLogP0.99
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(methyl)amino]adamantan-1-ol?
The IUPAC name of 3-[2-hydroxyethyl(methyl)amino]adamantan-1-ol (CID 2846757) is 3-[2-hydroxyethyl(methyl)amino]adamantan-1-ol.
What is the SMILES notation for 3-[2-hydroxyethyl(methyl)amino]adamantan-1-ol?
The canonical SMILES for 3-[2-hydroxyethyl(methyl)amino]adamantan-1-ol is CN(CCO)C12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of 3-[2-hydroxyethyl(methyl)amino]adamantan-1-ol?
The InChIKey is TXSUXTDJUGMDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-14(2-3-15)12-5-10-4-11(6-12)8-13(16,7-10)9-12/h10-11,15-16H,2-9H2,1H3.
What are the key properties of 3-[2-hydroxyethyl(methyl)amino]adamantan-1-ol?
3-[2-hydroxyethyl(methyl)amino]adamantan-1-ol has a molecular weight of 225.33 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(methyl)amino]adamantan-1-ol is sourced from PubChem (CID 2846757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).