[(1R,2S)-2-hydroxycyclohexyl]-trimethylazanium

C9H20NO+ — CID 13319245

IUPAC[(1R,2S)-2-hydroxycyclohexyl]-trimethylazanium
SMILESC[N+](C)(C)[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C9H20NO/c1-10(2,3)8-6-4-5-7-9(8)11/h8-9,11H,4-7H2,1-3H3/q+1/t8-,9+/m1/s1
InChIKeyYVFNMIFOQCYHSZ-BDAKNGLRSA-N
MW158.27 g/mol
LogP1.00
Rot. Bonds1

About [(1R,2S)-2-hydroxycyclohexyl]-trimethylazanium

[(1R,2S)-2-hydroxycyclohexyl]-trimethylazanium (PubChem CID 13319245) has the molecular formula C9H20NO+ and a molecular weight of 158.27 g/mol. Its IUPAC name is [(1R,2S)-2-hydroxycyclohexyl]-trimethylazanium.

Molecular Properties

Compound Name[(1R,2S)-2-hydroxycyclohexyl]-trimethylazanium
PubChem CID13319245
Molecular FormulaC9H20NO+
Molecular Weight158.27 g/mol
Exact Mass158.15
IUPAC Name[(1R,2S)-2-hydroxycyclohexyl]-trimethylazanium
SMILESC[N+](C)(C)[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C9H20NO/c1-10(2,3)8-6-4-5-7-9(8)11/h8-9,11H,4-7H2,1-3H3/q+1/t8-,9+/m1/s1
InChIKeyYVFNMIFOQCYHSZ-BDAKNGLRSA-N
XLogP1.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-hydroxycyclohexyl]-trimethylazanium?
The IUPAC name of [(1R,2S)-2-hydroxycyclohexyl]-trimethylazanium (CID 13319245) is [(1R,2S)-2-hydroxycyclohexyl]-trimethylazanium.
What is the SMILES notation for [(1R,2S)-2-hydroxycyclohexyl]-trimethylazanium?
The canonical SMILES for [(1R,2S)-2-hydroxycyclohexyl]-trimethylazanium is C[N+](C)(C)[C@@H]1CCCC[C@@H]1O.
What is the InChIKey of [(1R,2S)-2-hydroxycyclohexyl]-trimethylazanium?
The InChIKey is YVFNMIFOQCYHSZ-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H20NO/c1-10(2,3)8-6-4-5-7-9(8)11/h8-9,11H,4-7H2,1-3H3/q+1/t8-,9+/m1/s1.
What are the key properties of [(1R,2S)-2-hydroxycyclohexyl]-trimethylazanium?
[(1R,2S)-2-hydroxycyclohexyl]-trimethylazanium has a molecular weight of 158.27 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-hydroxycyclohexyl]-trimethylazanium is sourced from PubChem (CID 13319245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).