[(1R,2R)-2-hydroxycyclohexyl]methyl-dimethylazanium

C9H20NO+ — CID 7360395

IUPAC[(1R,2R)-2-hydroxycyclohexyl]methyl-dimethylazanium
SMILESC[NH+](C)C[C@H]1CCCC[C@H]1O
InChIInChI=1S/C9H19NO/c1-10(2)7-8-5-3-4-6-9(8)11/h8-9,11H,3-7H2,1-2H3/p+1/t8-,9-/m1/s1
InChIKeyLBKGSNPSDIYPBE-RKDXNWHRSA-O
MW158.27 g/mol
LogP-0.32
Rot. Bonds2

About [(1R,2R)-2-hydroxycyclohexyl]methyl-dimethylazanium

[(1R,2R)-2-hydroxycyclohexyl]methyl-dimethylazanium (PubChem CID 7360395) has the molecular formula C9H20NO+ and a molecular weight of 158.27 g/mol. Its IUPAC name is [(1R,2R)-2-hydroxycyclohexyl]methyl-dimethylazanium.

Molecular Properties

Compound Name[(1R,2R)-2-hydroxycyclohexyl]methyl-dimethylazanium
PubChem CID7360395
Molecular FormulaC9H20NO+
Molecular Weight158.27 g/mol
Exact Mass158.15
IUPAC Name[(1R,2R)-2-hydroxycyclohexyl]methyl-dimethylazanium
SMILESC[NH+](C)C[C@H]1CCCC[C@H]1O
InChIInChI=1S/C9H19NO/c1-10(2)7-8-5-3-4-6-9(8)11/h8-9,11H,3-7H2,1-2H3/p+1/t8-,9-/m1/s1
InChIKeyLBKGSNPSDIYPBE-RKDXNWHRSA-O
XLogP-0.32
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-hydroxycyclohexyl]methyl-dimethylazanium?
The IUPAC name of [(1R,2R)-2-hydroxycyclohexyl]methyl-dimethylazanium (CID 7360395) is [(1R,2R)-2-hydroxycyclohexyl]methyl-dimethylazanium.
What is the SMILES notation for [(1R,2R)-2-hydroxycyclohexyl]methyl-dimethylazanium?
The canonical SMILES for [(1R,2R)-2-hydroxycyclohexyl]methyl-dimethylazanium is C[NH+](C)C[C@H]1CCCC[C@H]1O.
What is the InChIKey of [(1R,2R)-2-hydroxycyclohexyl]methyl-dimethylazanium?
The InChIKey is LBKGSNPSDIYPBE-RKDXNWHRSA-O. The full InChI is InChI=1S/C9H19NO/c1-10(2)7-8-5-3-4-6-9(8)11/h8-9,11H,3-7H2,1-2H3/p+1/t8-,9-/m1/s1.
What are the key properties of [(1R,2R)-2-hydroxycyclohexyl]methyl-dimethylazanium?
[(1R,2R)-2-hydroxycyclohexyl]methyl-dimethylazanium has a molecular weight of 158.27 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-hydroxycyclohexyl]methyl-dimethylazanium is sourced from PubChem (CID 7360395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).