[(2R)-1-hydroxy-4,4-dimethylpentan-2-yl]azanium

C7H18NO+ — CID 140963975

IUPAC[(2R)-1-hydroxy-4,4-dimethylpentan-2-yl]azanium
SMILESCC(C)(C)C[C@@H]([NH3+])CO
InChIInChI=1S/C7H17NO/c1-7(2,3)4-6(8)5-9/h6,9H,4-5,8H2,1-3H3/p+1/t6-/m1/s1
InChIKeyOCJXWXGVDQCFJW-ZCFIWIBFSA-O
MW132.23 g/mol
LogP0.03
Rot. Bonds2

About [(2R)-1-hydroxy-4,4-dimethylpentan-2-yl]azanium

[(2R)-1-hydroxy-4,4-dimethylpentan-2-yl]azanium (PubChem CID 140963975) has the molecular formula C7H18NO+ and a molecular weight of 132.23 g/mol. Its IUPAC name is [(2R)-1-hydroxy-4,4-dimethylpentan-2-yl]azanium.

Molecular Properties

Compound Name[(2R)-1-hydroxy-4,4-dimethylpentan-2-yl]azanium
PubChem CID140963975
Molecular FormulaC7H18NO+
Molecular Weight132.23 g/mol
Exact Mass132.14
IUPAC Name[(2R)-1-hydroxy-4,4-dimethylpentan-2-yl]azanium
SMILESCC(C)(C)C[C@@H]([NH3+])CO
InChIInChI=1S/C7H17NO/c1-7(2,3)4-6(8)5-9/h6,9H,4-5,8H2,1-3H3/p+1/t6-/m1/s1
InChIKeyOCJXWXGVDQCFJW-ZCFIWIBFSA-O
XLogP0.03
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-4,4-dimethyl-2-propan-2-ylpentan-1-ol
CID 167343792
(2S,3S,4S,5S)-7,7-dimethyloctane-1,2,3,4,5-pentol
CID 58201913
2-(2,2-dimethylpropyl)butane-1,4-diol
CID 140997808
[(2R)-1-hydroxy-4-methylpentan-2-yl]azanium
CID 6950465
4,4-dimethyl-2-propylpentan-1-ol
CID 87272554
[(2S)-4,4-dimethyl-1-phenylpentan-2-yl]azanium
CID 140963970
[(2S)-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate
CID 87120669
(2R)-4,4-dimethylpentan-2-ol
CID 7014873
4,4-dimethyl-2-(methylaminomethyl)pentan-1-ol
CID 117241786
(2R,3S,4R)-2,6,6-trimethylheptane-1,3,4-triol
CID 88965290
2-(2,2,4,4-tetramethylpentyl)propane-1,3-diol
CID 59345678
methyl 2-(hydroxymethyl)-4,4-dimethylpentanoate
CID 86048899

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-hydroxy-4,4-dimethylpentan-2-yl]azanium?
The IUPAC name of [(2R)-1-hydroxy-4,4-dimethylpentan-2-yl]azanium (CID 140963975) is [(2R)-1-hydroxy-4,4-dimethylpentan-2-yl]azanium.
What is the SMILES notation for [(2R)-1-hydroxy-4,4-dimethylpentan-2-yl]azanium?
The canonical SMILES for [(2R)-1-hydroxy-4,4-dimethylpentan-2-yl]azanium is CC(C)(C)C[C@@H]([NH3+])CO.
What is the InChIKey of [(2R)-1-hydroxy-4,4-dimethylpentan-2-yl]azanium?
The InChIKey is OCJXWXGVDQCFJW-ZCFIWIBFSA-O. The full InChI is InChI=1S/C7H17NO/c1-7(2,3)4-6(8)5-9/h6,9H,4-5,8H2,1-3H3/p+1/t6-/m1/s1.
What are the key properties of [(2R)-1-hydroxy-4,4-dimethylpentan-2-yl]azanium?
[(2R)-1-hydroxy-4,4-dimethylpentan-2-yl]azanium has a molecular weight of 132.23 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-hydroxy-4,4-dimethylpentan-2-yl]azanium is sourced from PubChem (CID 140963975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).