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

C12H26ClNO — CID 2750748

IUPAC[2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium chloride
SMILESC[NH2+]CC(O)C1(C)CCC(C)C1(C)C.[Cl-]
InChIInChI=1S/C12H25NO.ClH/c1-9-6-7-12(4,11(9,2)3)10(14)8-13-5;/h9-10,13-14H,6-8H2,1-5H3;1H
InChIKeyNTUMEFDOPUMDRW-UHFFFAOYSA-N
MW235.80 g/mol
LogP-1.99
Rot. Bonds3

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

[2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium chloride (PubChem CID 2750748) has the molecular formula C12H26ClNO and a molecular weight of 235.80 g/mol. Its IUPAC name is [2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium chloride.

Molecular Properties

Compound Name[2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium chloride
PubChem CID2750748
Molecular FormulaC12H26ClNO
Molecular Weight235.80 g/mol
Exact Mass235.17
IUPAC Name[2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium chloride
SMILESC[NH2+]CC(O)C1(C)CCC(C)C1(C)C.[Cl-]
InChIInChI=1S/C12H25NO.ClH/c1-9-6-7-12(4,11(9,2)3)10(14)8-13-5;/h9-10,13-14H,6-8H2,1-5H3;1H
InChIKeyNTUMEFDOPUMDRW-UHFFFAOYSA-N
XLogP-1.99
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.80
LogP ≤ 5-1.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium chloride?
The IUPAC name of [2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium chloride (CID 2750748) is [2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium chloride.
What is the SMILES notation for [2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium chloride?
The canonical SMILES for [2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium chloride is C[NH2+]CC(O)C1(C)CCC(C)C1(C)C.[Cl-].
What is the InChIKey of [2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium chloride?
The InChIKey is NTUMEFDOPUMDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO.ClH/c1-9-6-7-12(4,11(9,2)3)10(14)8-13-5;/h9-10,13-14H,6-8H2,1-5H3;1H.
What are the key properties of [2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium chloride?
[2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium chloride has a molecular weight of 235.80 g/mol, XLogP of -1.99, 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 chloride is sourced from PubChem (CID 2750748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).