1-adamantyl(triethyl)azanium hydroxide

C16H31NO — CID 53482582

IUPAC1-adamantyl(triethyl)azanium hydroxide
SMILESCC[N+](CC)(CC)C12CC3CC(CC(C3)C1)C2.[OH-]
InChIInChI=1S/C16H30N.H2O/c1-4-17(5-2,6-3)16-10-13-7-14(11-16)9-15(8-13)12-16;/h13-15H,4-12H2,1-3H3;1H2/q+1;/p-1
InChIKeyVPNWPJRJIRVFID-UHFFFAOYSA-M
MW253.43 g/mol
LogP3.65
Rot. Bonds4

About 1-adamantyl(triethyl)azanium hydroxide

1-adamantyl(triethyl)azanium hydroxide (PubChem CID 53482582) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-adamantyl(triethyl)azanium hydroxide.

Molecular Properties

Compound Name1-adamantyl(triethyl)azanium hydroxide
PubChem CID53482582
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-adamantyl(triethyl)azanium hydroxide
SMILESCC[N+](CC)(CC)C12CC3CC(CC(C3)C1)C2.[OH-]
InChIInChI=1S/C16H30N.H2O/c1-4-17(5-2,6-3)16-10-13-7-14(11-16)9-15(8-13)12-16;/h13-15H,4-12H2,1-3H3;1H2/q+1;/p-1
InChIKeyVPNWPJRJIRVFID-UHFFFAOYSA-M
XLogP3.65
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-adamantyl(triethyl)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

Related Compounds

1-adamantyl-ethyl-dimethylazanium
CID 53482641
1-adamantyl(trimethyl)azanium;hydroxide;hydrate
CID 132987838
3,3-diethylbicyclo[3.1.1]heptane
CID 140814680
3-(1-adamantyl)pentan-3-ol
CID 3916017
bis(1-adamantyl(trimethyl)azanium);sulfate
CID 67016445
bis(1-adamantyl)-butylphosphane;hydrobromide
CID 153370159
1-ethyl-3-methyl-2-oxatricyclo[3.3.1.13,7]decane
CID 148656254
1-adamantylazanium hydroxide
CID 66728776
adamantane;1-methyladamantane
CID 53425859
2-(1-adamantyl)butan-2-ylphosphane
CID 166806637
1-(1-chloropropyl)adamantane
CID 89114762
N-(1-adamantyl)propan-1-imine
CID 5136240

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl(triethyl)azanium hydroxide?
The IUPAC name of 1-adamantyl(triethyl)azanium hydroxide (CID 53482582) is 1-adamantyl(triethyl)azanium hydroxide.
What is the SMILES notation for 1-adamantyl(triethyl)azanium hydroxide?
The canonical SMILES for 1-adamantyl(triethyl)azanium hydroxide is CC[N+](CC)(CC)C12CC3CC(CC(C3)C1)C2.[OH-].
What is the InChIKey of 1-adamantyl(triethyl)azanium hydroxide?
The InChIKey is VPNWPJRJIRVFID-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H30N.H2O/c1-4-17(5-2,6-3)16-10-13-7-14(11-16)9-15(8-13)12-16;/h13-15H,4-12H2,1-3H3;1H2/q+1;/p-1.
What are the key properties of 1-adamantyl(triethyl)azanium hydroxide?
1-adamantyl(triethyl)azanium hydroxide has a molecular weight of 253.43 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl(triethyl)azanium hydroxide is sourced from PubChem (CID 53482582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).