[2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium

C12H26NO+ — CID 4590930

IUPAC[2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium
SMILESC[NH2+]CC(O)C1(C)CCC(C)C1(C)C
InChIInChI=1S/C12H25NO/c1-9-6-7-12(4,11(9,2)3)10(14)8-13-5/h9-10,13-14H,6-8H2,1-5H3/p+1
InChIKeyGNYKHQJGTQHNQT-UHFFFAOYSA-O
MW200.35 g/mol
LogP1.00
Rot. Bonds3

About [2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium

[2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium (PubChem CID 4590930) has the molecular formula C12H26NO+ and a molecular weight of 200.35 g/mol. Its IUPAC name is [2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium.

Molecular Properties

Compound Name[2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium
PubChem CID4590930
Molecular FormulaC12H26NO+
Molecular Weight200.35 g/mol
Exact Mass200.20
IUPAC Name[2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium
SMILESC[NH2+]CC(O)C1(C)CCC(C)C1(C)C
InChIInChI=1S/C12H25NO/c1-9-6-7-12(4,11(9,2)3)10(14)8-13-5/h9-10,13-14H,6-8H2,1-5H3/p+1
InChIKeyGNYKHQJGTQHNQT-UHFFFAOYSA-O
XLogP1.00
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium 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-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium?
The IUPAC name of [2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium (CID 4590930) is [2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium.
What is the SMILES notation for [2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium?
The canonical SMILES for [2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium is C[NH2+]CC(O)C1(C)CCC(C)C1(C)C.
What is the InChIKey of [2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium?
The InChIKey is GNYKHQJGTQHNQT-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H25NO/c1-9-6-7-12(4,11(9,2)3)10(14)8-13-5/h9-10,13-14H,6-8H2,1-5H3/p+1.
What are the key properties of [2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium?
[2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium has a molecular weight of 200.35 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium is sourced from PubChem (CID 4590930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).