cyclohexylmethyl(trimethyl)azanium hydroxide

C10H23NO — CID 12533371

IUPACcyclohexylmethyl(trimethyl)azanium hydroxide
SMILESC[N+](C)(C)CC1CCCCC1.[OH-]
InChIInChI=1S/C10H22N.H2O/c1-11(2,3)9-10-7-5-4-6-8-10;/h10H,4-9H2,1-3H3;1H2/q+1;/p-1
InChIKeyKZVHUTGNBOJKFJ-UHFFFAOYSA-M
MW173.30 g/mol
LogP2.10
Rot. Bonds2

About cyclohexylmethyl(trimethyl)azanium hydroxide

cyclohexylmethyl(trimethyl)azanium hydroxide (PubChem CID 12533371) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is cyclohexylmethyl(trimethyl)azanium hydroxide.

Molecular Properties

Compound Namecyclohexylmethyl(trimethyl)azanium hydroxide
PubChem CID12533371
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Namecyclohexylmethyl(trimethyl)azanium hydroxide
SMILESC[N+](C)(C)CC1CCCCC1.[OH-]
InChIInChI=1S/C10H22N.H2O/c1-11(2,3)9-10-7-5-4-6-8-10;/h10H,4-9H2,1-3H3;1H2/q+1;/p-1
InChIKeyKZVHUTGNBOJKFJ-UHFFFAOYSA-M
XLogP2.10
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.10
H-Bond Donors ≤ 50
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 cyclohexylmethyl(trimethyl)azanium hydroxide?
The IUPAC name of cyclohexylmethyl(trimethyl)azanium hydroxide (CID 12533371) is cyclohexylmethyl(trimethyl)azanium hydroxide.
What is the SMILES notation for cyclohexylmethyl(trimethyl)azanium hydroxide?
The canonical SMILES for cyclohexylmethyl(trimethyl)azanium hydroxide is C[N+](C)(C)CC1CCCCC1.[OH-].
What is the InChIKey of cyclohexylmethyl(trimethyl)azanium hydroxide?
The InChIKey is KZVHUTGNBOJKFJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H22N.H2O/c1-11(2,3)9-10-7-5-4-6-8-10;/h10H,4-9H2,1-3H3;1H2/q+1;/p-1.
What are the key properties of cyclohexylmethyl(trimethyl)azanium hydroxide?
cyclohexylmethyl(trimethyl)azanium hydroxide has a molecular weight of 173.30 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl(trimethyl)azanium hydroxide is sourced from PubChem (CID 12533371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).