CID 59112422

C6H14NO+ — CID 59112422

IUPAC—
SMILES[CH][N+](C)(CC)CCO
InChIInChI=1S/C6H14NO/c1-4-7(2,3)5-6-8/h2,8H,4-6H2,1,3H3/q+1
InChIKeyKGRRXXXQZPIVGA-UHFFFAOYSA-N
MW116.18 g/mol
LogP0.11
Rot. Bonds3

About CID 59112422

CID 59112422 (PubChem CID 59112422) has the molecular formula C6H14NO+ and a molecular weight of 116.18 g/mol.

Molecular Properties

Compound NameCID 59112422
PubChem CID59112422
Molecular FormulaC6H14NO+
Molecular Weight116.18 g/mol
Exact Mass116.11
IUPAC Name—
SMILES[CH][N+](C)(CC)CCO
InChIInChI=1S/C6H14NO/c1-4-7(2,3)5-6-8/h2,8H,4-6H2,1,3H3/q+1
InChIKeyKGRRXXXQZPIVGA-UHFFFAOYSA-N
XLogP0.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.18
LogP ≤ 50.11
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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Related Compounds

2-hydroxyethyl(trimethyl)azanium;hydroxylamine
CID 86628599
barium(2+);2-hydroxyethyl(trimethyl)azanium
CID 88662937
deuteride;tetrakis(2-hydroxyethyl(trimethyl)azanium)
CID 141334455
selanium 2-hydroxyethyl(trimethyl)azanium
CID 57348093
copper 2-hydroxyethyl(trimethyl)azanium
CID 89239745
carboxy-(2-hydroxyethyl)-dimethylazanium
CID 18716499
2-[dimethyl(propyl)azaniumyl]ethyl-(2-hydroxyethyl)-dimethylazanium
CID 22833505
bis(2-hydroxyethyl)-[2-(2-hydroxyethyl-methyl-propylazaniumyl)ethyl]-methylazanium
CID 159063844
2-hydroxyethyl(trimethyl)azanium;bromide;dihydrobromide
CID 173388257
2-hydroxyethyl(trimethyl)azanium;hydrochloride;dihydroiodide
CID 175143989
2-hydroxyethyl(trimethyl)azanium;molecular oxygen
CID 87859014
2-hydroxyethyl(trimethyl)azanium;λ2-plumbane;chloride
CID 174998407

Frequently Asked Questions

What is the IUPAC name of CID 59112422?
The IUPAC name of CID 59112422 (CID 59112422) is not available.
What is the SMILES notation for CID 59112422?
The canonical SMILES for CID 59112422 is [CH][N+](C)(CC)CCO.
What is the InChIKey of CID 59112422?
The InChIKey is KGRRXXXQZPIVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO/c1-4-7(2,3)5-6-8/h2,8H,4-6H2,1,3H3/q+1.
What are the key properties of CID 59112422?
CID 59112422 has a molecular weight of 116.18 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59112422 is sourced from PubChem (CID 59112422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).