[(1S,3R,4R)-3-hydroxy-4-methylcyclopentyl]methyl-trimethylazanium iodide

C10H22INO — CID 5314077

IUPAC[(1S,3R,4R)-3-hydroxy-4-methylcyclopentyl]methyl-trimethylazanium iodide
SMILESC[C@@H]1C[C@H](C[N+](C)(C)C)C[C@H]1O.[I-]
InChIInChI=1S/C10H22NO.HI/c1-8-5-9(6-10(8)12)7-11(2,3)4;/h8-10,12H,5-7H2,1-4H3;1H/q+1;/p-1/t8-,9+,10-;/m1./s1
InChIKeyAAWWLCHEYCWYAN-YMQJAAJZSA-M
MW299.20 g/mol
LogP-1.90
Rot. Bonds2

About [(1S,3R,4R)-3-hydroxy-4-methylcyclopentyl]methyl-trimethylazanium iodide

[(1S,3R,4R)-3-hydroxy-4-methylcyclopentyl]methyl-trimethylazanium iodide (PubChem CID 5314077) has the molecular formula C10H22INO and a molecular weight of 299.20 g/mol. Its IUPAC name is [(1S,3R,4R)-3-hydroxy-4-methylcyclopentyl]methyl-trimethylazanium iodide.

Molecular Properties

Compound Name[(1S,3R,4R)-3-hydroxy-4-methylcyclopentyl]methyl-trimethylazanium iodide
PubChem CID5314077
Molecular FormulaC10H22INO
Molecular Weight299.20 g/mol
Exact Mass299.07
IUPAC Name[(1S,3R,4R)-3-hydroxy-4-methylcyclopentyl]methyl-trimethylazanium iodide
SMILESC[C@@H]1C[C@H](C[N+](C)(C)C)C[C@H]1O.[I-]
InChIInChI=1S/C10H22NO.HI/c1-8-5-9(6-10(8)12)7-11(2,3)4;/h8-10,12H,5-7H2,1-4H3;1H/q+1;/p-1/t8-,9+,10-;/m1./s1
InChIKeyAAWWLCHEYCWYAN-YMQJAAJZSA-M
XLogP-1.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 5-1.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S,3R,4R)-3-hydroxy-4-methylcyclopentyl]methyl-trimethylazanium iodide?
The IUPAC name of [(1S,3R,4R)-3-hydroxy-4-methylcyclopentyl]methyl-trimethylazanium iodide (CID 5314077) is [(1S,3R,4R)-3-hydroxy-4-methylcyclopentyl]methyl-trimethylazanium iodide.
What is the SMILES notation for [(1S,3R,4R)-3-hydroxy-4-methylcyclopentyl]methyl-trimethylazanium iodide?
The canonical SMILES for [(1S,3R,4R)-3-hydroxy-4-methylcyclopentyl]methyl-trimethylazanium iodide is C[C@@H]1C[C@H](C[N+](C)(C)C)C[C@H]1O.[I-].
What is the InChIKey of [(1S,3R,4R)-3-hydroxy-4-methylcyclopentyl]methyl-trimethylazanium iodide?
The InChIKey is AAWWLCHEYCWYAN-YMQJAAJZSA-M. The full InChI is InChI=1S/C10H22NO.HI/c1-8-5-9(6-10(8)12)7-11(2,3)4;/h8-10,12H,5-7H2,1-4H3;1H/q+1;/p-1/t8-,9+,10-;/m1./s1.
What are the key properties of [(1S,3R,4R)-3-hydroxy-4-methylcyclopentyl]methyl-trimethylazanium iodide?
[(1S,3R,4R)-3-hydroxy-4-methylcyclopentyl]methyl-trimethylazanium iodide has a molecular weight of 299.20 g/mol, XLogP of -1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R,4R)-3-hydroxy-4-methylcyclopentyl]methyl-trimethylazanium iodide is sourced from PubChem (CID 5314077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).