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

C6H16NO+ — CID 6950465

IUPAC[(2R)-1-hydroxy-4-methylpentan-2-yl]azanium
SMILESCC(C)C[C@@H]([NH3+])CO
InChIInChI=1S/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/p+1/t6-/m1/s1
InChIKeyVPSSPAXIFBTOHY-ZCFIWIBFSA-O
MW118.20 g/mol
LogP-0.36
Rot. Bonds3

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

[(2R)-1-hydroxy-4-methylpentan-2-yl]azanium (PubChem CID 6950465) has the molecular formula C6H16NO+ and a molecular weight of 118.20 g/mol. Its IUPAC name is [(2R)-1-hydroxy-4-methylpentan-2-yl]azanium.

Molecular Properties

Compound Name[(2R)-1-hydroxy-4-methylpentan-2-yl]azanium
PubChem CID6950465
Molecular FormulaC6H16NO+
Molecular Weight118.20 g/mol
Exact Mass118.12
IUPAC Name[(2R)-1-hydroxy-4-methylpentan-2-yl]azanium
SMILESCC(C)C[C@@H]([NH3+])CO
InChIInChI=1S/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/p+1/t6-/m1/s1
InChIKeyVPSSPAXIFBTOHY-ZCFIWIBFSA-O
XLogP-0.36
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-azaniumyl-5-methylhexanoate
CID 6934241
[(2S)-4-methylpentan-2-yl]azanium
CID 6994057
tris(2-methylpropan-1-ol);titanium
CID 87503095
2-methylpropan-1-ol;zinc
CID 151745482
CID 131872176
CID 131872176
azane;tris(2-methylpropan-1-ol)
CID 175819145
2-methylpropan-1-ol;zirconium(3+)
CID 150803706
lanthanum;tris(2-methylpropan-1-ol)
CID 140708551
(2S)-4-methylpentane-1,2-diol;sulfane
CID 159079830
(2S,4R)-2,4,6-trimethylheptan-1-ol
CID 13109020
2-chloro-4-methylpentan-1-ol
CID 13050114
2,4-dimethylpentane
CID 157050020

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-hydroxy-4-methylpentan-2-yl]azanium?
The IUPAC name of [(2R)-1-hydroxy-4-methylpentan-2-yl]azanium (CID 6950465) is [(2R)-1-hydroxy-4-methylpentan-2-yl]azanium.
What is the SMILES notation for [(2R)-1-hydroxy-4-methylpentan-2-yl]azanium?
The canonical SMILES for [(2R)-1-hydroxy-4-methylpentan-2-yl]azanium is CC(C)C[C@@H]([NH3+])CO.
What is the InChIKey of [(2R)-1-hydroxy-4-methylpentan-2-yl]azanium?
The InChIKey is VPSSPAXIFBTOHY-ZCFIWIBFSA-O. The full InChI is InChI=1S/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/p+1/t6-/m1/s1.
What are the key properties of [(2R)-1-hydroxy-4-methylpentan-2-yl]azanium?
[(2R)-1-hydroxy-4-methylpentan-2-yl]azanium has a molecular weight of 118.20 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-hydroxy-4-methylpentan-2-yl]azanium is sourced from PubChem (CID 6950465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).