[(1S,3S)-3-hydroxycyclohexyl]methyl-trimethylazanium

C10H22NO+ — CID 118719149

IUPAC[(1S,3S)-3-hydroxycyclohexyl]methyl-trimethylazanium
SMILESC[N+](C)(C)C[C@H]1CCC[C@H](O)C1
InChIInChI=1S/C10H22NO/c1-11(2,3)8-9-5-4-6-10(12)7-9/h9-10,12H,4-8H2,1-3H3/q+1/t9-,10-/m0/s1
InChIKeyWNQUEHLDGUOXGJ-UWVGGRQHSA-N
MW172.29 g/mol
LogP1.24
Rot. Bonds2

About [(1S,3S)-3-hydroxycyclohexyl]methyl-trimethylazanium

[(1S,3S)-3-hydroxycyclohexyl]methyl-trimethylazanium (PubChem CID 118719149) has the molecular formula C10H22NO+ and a molecular weight of 172.29 g/mol. Its IUPAC name is [(1S,3S)-3-hydroxycyclohexyl]methyl-trimethylazanium.

Molecular Properties

Compound Name[(1S,3S)-3-hydroxycyclohexyl]methyl-trimethylazanium
PubChem CID118719149
Molecular FormulaC10H22NO+
Molecular Weight172.29 g/mol
Exact Mass172.17
IUPAC Name[(1S,3S)-3-hydroxycyclohexyl]methyl-trimethylazanium
SMILESC[N+](C)(C)C[C@H]1CCC[C@H](O)C1
InChIInChI=1S/C10H22NO/c1-11(2,3)8-9-5-4-6-10(12)7-9/h9-10,12H,4-8H2,1-3H3/q+1/t9-,10-/m0/s1
InChIKeyWNQUEHLDGUOXGJ-UWVGGRQHSA-N
XLogP1.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 51.24
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 [(1S,3S)-3-hydroxycyclohexyl]methyl-trimethylazanium?
The IUPAC name of [(1S,3S)-3-hydroxycyclohexyl]methyl-trimethylazanium (CID 118719149) is [(1S,3S)-3-hydroxycyclohexyl]methyl-trimethylazanium.
What is the SMILES notation for [(1S,3S)-3-hydroxycyclohexyl]methyl-trimethylazanium?
The canonical SMILES for [(1S,3S)-3-hydroxycyclohexyl]methyl-trimethylazanium is C[N+](C)(C)C[C@H]1CCC[C@H](O)C1.
What is the InChIKey of [(1S,3S)-3-hydroxycyclohexyl]methyl-trimethylazanium?
The InChIKey is WNQUEHLDGUOXGJ-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H22NO/c1-11(2,3)8-9-5-4-6-10(12)7-9/h9-10,12H,4-8H2,1-3H3/q+1/t9-,10-/m0/s1.
What are the key properties of [(1S,3S)-3-hydroxycyclohexyl]methyl-trimethylazanium?
[(1S,3S)-3-hydroxycyclohexyl]methyl-trimethylazanium has a molecular weight of 172.29 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-3-hydroxycyclohexyl]methyl-trimethylazanium is sourced from PubChem (CID 118719149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).