1-adamantyl(trimethyl)azanium hydroxide

C13H25NO — CID 14475644

IUPAC1-adamantyl(trimethyl)azanium hydroxide
SMILESC[N+](C)(C)C12CC3CC(CC(C3)C1)C2.[OH-]
InChIInChI=1S/C13H24N.H2O/c1-14(2,3)13-7-10-4-11(8-13)6-12(5-10)9-13;/h10-12H,4-9H2,1-3H3;1H2/q+1;/p-1
InChIKeyGNUJKXOGRSTACR-UHFFFAOYSA-M
MW211.35 g/mol
LogP2.48
Rot. Bonds1

About 1-adamantyl(trimethyl)azanium hydroxide

1-adamantyl(trimethyl)azanium hydroxide (PubChem CID 14475644) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-adamantyl(trimethyl)azanium hydroxide.

Molecular Properties

Compound Name1-adamantyl(trimethyl)azanium hydroxide
PubChem CID14475644
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-adamantyl(trimethyl)azanium hydroxide
SMILESC[N+](C)(C)C12CC3CC(CC(C3)C1)C2.[OH-]
InChIInChI=1S/C13H24N.H2O/c1-14(2,3)13-7-10-4-11(8-13)6-12(5-10)9-13;/h10-12H,4-9H2,1-3H3;1H2/q+1;/p-1
InChIKeyGNUJKXOGRSTACR-UHFFFAOYSA-M
XLogP2.48
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 1-adamantyl(trimethyl)azanium hydroxide 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 1-adamantyl(trimethyl)azanium hydroxide?
The IUPAC name of 1-adamantyl(trimethyl)azanium hydroxide (CID 14475644) is 1-adamantyl(trimethyl)azanium hydroxide.
What is the SMILES notation for 1-adamantyl(trimethyl)azanium hydroxide?
The canonical SMILES for 1-adamantyl(trimethyl)azanium hydroxide is C[N+](C)(C)C12CC3CC(CC(C3)C1)C2.[OH-].
What is the InChIKey of 1-adamantyl(trimethyl)azanium hydroxide?
The InChIKey is GNUJKXOGRSTACR-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H24N.H2O/c1-14(2,3)13-7-10-4-11(8-13)6-12(5-10)9-13;/h10-12H,4-9H2,1-3H3;1H2/q+1;/p-1.
What are the key properties of 1-adamantyl(trimethyl)azanium hydroxide?
1-adamantyl(trimethyl)azanium hydroxide has a molecular weight of 211.35 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl(trimethyl)azanium hydroxide is sourced from PubChem (CID 14475644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).