2-(3-hydroxy-1-adamantyl)ethylazanium

C12H22NO+ — CID 5276204

IUPAC2-(3-hydroxy-1-adamantyl)ethylazanium
SMILES[NH3+]CCC12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C12H21NO/c13-2-1-11-4-9-3-10(5-11)7-12(14,6-9)8-11/h9-10,14H,1-8,13H2/p+1
InChIKeyMGJUIYJDXXKQJS-UHFFFAOYSA-O
MW196.31 g/mol
LogP0.95
Rot. Bonds2

About 2-(3-hydroxy-1-adamantyl)ethylazanium

2-(3-hydroxy-1-adamantyl)ethylazanium (PubChem CID 5276204) has the molecular formula C12H22NO+ and a molecular weight of 196.31 g/mol. Its IUPAC name is 2-(3-hydroxy-1-adamantyl)ethylazanium.

Molecular Properties

Compound Name2-(3-hydroxy-1-adamantyl)ethylazanium
PubChem CID5276204
Molecular FormulaC12H22NO+
Molecular Weight196.31 g/mol
Exact Mass196.17
IUPAC Name2-(3-hydroxy-1-adamantyl)ethylazanium
SMILES[NH3+]CCC12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C12H21NO/c13-2-1-11-4-9-3-10(5-11)7-12(14,6-9)8-11/h9-10,14H,1-8,13H2/p+1
InChIKeyMGJUIYJDXXKQJS-UHFFFAOYSA-O
XLogP0.95
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-(3-hydroxy-1-adamantyl)ethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-1-adamantyl)ethylazanium?
The IUPAC name of 2-(3-hydroxy-1-adamantyl)ethylazanium (CID 5276204) is 2-(3-hydroxy-1-adamantyl)ethylazanium.
What is the SMILES notation for 2-(3-hydroxy-1-adamantyl)ethylazanium?
The canonical SMILES for 2-(3-hydroxy-1-adamantyl)ethylazanium is [NH3+]CCC12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of 2-(3-hydroxy-1-adamantyl)ethylazanium?
The InChIKey is MGJUIYJDXXKQJS-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H21NO/c13-2-1-11-4-9-3-10(5-11)7-12(14,6-9)8-11/h9-10,14H,1-8,13H2/p+1.
What are the key properties of 2-(3-hydroxy-1-adamantyl)ethylazanium?
2-(3-hydroxy-1-adamantyl)ethylazanium has a molecular weight of 196.31 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-1-adamantyl)ethylazanium is sourced from PubChem (CID 5276204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).