hydroxy-dimethyl-[(2R)-pentan-2-yl]azanium

C7H18NO+ — CID 88756413

IUPAChydroxy-dimethyl-[(2R)-pentan-2-yl]azanium
SMILESCCC[C@@H](C)[N+](C)(C)O
InChIInChI=1S/C7H18NO/c1-5-6-7(2)8(3,4)9/h7,9H,5-6H2,1-4H3/q+1/t7-/m1/s1
InChIKeyYOKXQTQCLPKAOR-SSDOTTSWSA-N
MW132.23 g/mol
LogP1.64
Rot. Bonds3

About hydroxy-dimethyl-[(2R)-pentan-2-yl]azanium

hydroxy-dimethyl-[(2R)-pentan-2-yl]azanium (PubChem CID 88756413) has the molecular formula C7H18NO+ and a molecular weight of 132.23 g/mol. Its IUPAC name is hydroxy-dimethyl-[(2R)-pentan-2-yl]azanium.

Molecular Properties

Compound Namehydroxy-dimethyl-[(2R)-pentan-2-yl]azanium
PubChem CID88756413
Molecular FormulaC7H18NO+
Molecular Weight132.23 g/mol
Exact Mass132.14
IUPAC Namehydroxy-dimethyl-[(2R)-pentan-2-yl]azanium
SMILESCCC[C@@H](C)[N+](C)(C)O
InChIInChI=1S/C7H18NO/c1-5-6-7(2)8(3,4)9/h7,9H,5-6H2,1-4H3/q+1/t7-/m1/s1
InChIKeyYOKXQTQCLPKAOR-SSDOTTSWSA-N
XLogP1.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

butyl-dimethyl-pentan-2-ylazanium
CID 123184718
hydroxy-dimethyl-(5-trimethoxysilylpentan-2-yl)azanium chloride
CID 87380739
(2R)-pentan-2-ol
CID 7014876
tributyl(pentan-2-yl)azanium chloride
CID 87105344
ethyl-heptan-2-yl-dimethylazanium
CID 123202760
hexadecyl-hydroxy-methyl-octadecan-2-ylazanium
CID 23070330
1-fluorobutan-1-ol;tetramethylazanium
CID 175292318
azane;2-methylpentan-1-ol;dihydrochloride
CID 174415462
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
2-methylpentane
CID 7892
pentan-2-ylsulfanium chloride
CID 172855201

Frequently Asked Questions

What is the IUPAC name of hydroxy-dimethyl-[(2R)-pentan-2-yl]azanium?
The IUPAC name of hydroxy-dimethyl-[(2R)-pentan-2-yl]azanium (CID 88756413) is hydroxy-dimethyl-[(2R)-pentan-2-yl]azanium.
What is the SMILES notation for hydroxy-dimethyl-[(2R)-pentan-2-yl]azanium?
The canonical SMILES for hydroxy-dimethyl-[(2R)-pentan-2-yl]azanium is CCC[C@@H](C)[N+](C)(C)O.
What is the InChIKey of hydroxy-dimethyl-[(2R)-pentan-2-yl]azanium?
The InChIKey is YOKXQTQCLPKAOR-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H18NO/c1-5-6-7(2)8(3,4)9/h7,9H,5-6H2,1-4H3/q+1/t7-/m1/s1.
What are the key properties of hydroxy-dimethyl-[(2R)-pentan-2-yl]azanium?
hydroxy-dimethyl-[(2R)-pentan-2-yl]azanium has a molecular weight of 132.23 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-dimethyl-[(2R)-pentan-2-yl]azanium is sourced from PubChem (CID 88756413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).