hydroxy-methyl-di(propan-2-yl)azanium

C7H18NO+ — CID 138728861

IUPAChydroxy-methyl-di(propan-2-yl)azanium
SMILESCC(C)[N+](C)(O)C(C)C
InChIInChI=1S/C7H18NO/c1-6(2)8(5,9)7(3)4/h6-7,9H,1-5H3/q+1
InChIKeyXURIKUJIRPFUAC-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.64
Rot. Bonds2

About hydroxy-methyl-di(propan-2-yl)azanium

hydroxy-methyl-di(propan-2-yl)azanium (PubChem CID 138728861) has the molecular formula C7H18NO+ and a molecular weight of 132.23 g/mol. Its IUPAC name is hydroxy-methyl-di(propan-2-yl)azanium.

Molecular Properties

Compound Namehydroxy-methyl-di(propan-2-yl)azanium
PubChem CID138728861
Molecular FormulaC7H18NO+
Molecular Weight132.23 g/mol
Exact Mass132.14
IUPAC Namehydroxy-methyl-di(propan-2-yl)azanium
SMILESCC(C)[N+](C)(O)C(C)C
InChIInChI=1S/C7H18NO/c1-6(2)8(5,9)7(3)4/h6-7,9H,1-5H3/q+1
InChIKeyXURIKUJIRPFUAC-UHFFFAOYSA-N
XLogP1.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tetramethylazanium;tetra(propan-2-yl)azanium;dihydroxide
CID 159779261
cobalt;tetramethylphosphanium
CID 175561525
2-methylpropane;sulfane
CID 20976886
hydroxy-dimethyl-[(2R)-pentan-2-yl]azanium
CID 88756413
hydroxy-dimethyl-[2-(2-propan-2-yloxyethoxy)ethyl]azanium
CID 59544809
tetra(propan-2-yl)azanium fluoride
CID 18764598
amino-methyl-phosphanyl-propan-2-ylazanium;zinc
CID 163842705
N,N-dimethylmethanamine;fluoromethane;hydroxy(trimethyl)azanium;methanol;tris(2-methylpropane);propane
CID 160807590
(4-hydroxy-2-methylpent-4-enyl)-trimethylazanium
CID 146650580
2,3-dimethylbutan-2-yl-dimethyl-propan-2-ylazanium
CID 147318009
ethyl(trimethyl)azanium;methane;trimethyl(propan-2-yl)azanium
CID 161494736
carboxy-tri(propan-2-yl)azanium
CID 134471692

Frequently Asked Questions

What is the IUPAC name of hydroxy-methyl-di(propan-2-yl)azanium?
The IUPAC name of hydroxy-methyl-di(propan-2-yl)azanium (CID 138728861) is hydroxy-methyl-di(propan-2-yl)azanium.
What is the SMILES notation for hydroxy-methyl-di(propan-2-yl)azanium?
The canonical SMILES for hydroxy-methyl-di(propan-2-yl)azanium is CC(C)[N+](C)(O)C(C)C.
What is the InChIKey of hydroxy-methyl-di(propan-2-yl)azanium?
The InChIKey is XURIKUJIRPFUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18NO/c1-6(2)8(5,9)7(3)4/h6-7,9H,1-5H3/q+1.
What are the key properties of hydroxy-methyl-di(propan-2-yl)azanium?
hydroxy-methyl-di(propan-2-yl)azanium has a molecular weight of 132.23 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-methyl-di(propan-2-yl)azanium is sourced from PubChem (CID 138728861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).