tetrakis(3-hydroxy-2-methylpropyl)azanium

C16H36NO4+ — CID 19093143

IUPACtetrakis(3-hydroxy-2-methylpropyl)azanium
SMILESCC(CO)C[N+](CC(C)CO)(CC(C)CO)CC(C)CO
InChIInChI=1S/C16H36NO4/c1-13(9-18)5-17(6-14(2)10-19,7-15(3)11-20)8-16(4)12-21/h13-16,18-21H,5-12H2,1-4H3/q+1
InChIKeyRIXQKIKTEWJJEI-UHFFFAOYSA-N
MW306.47 g/mol
LogP0.32
Rot. Bonds12

About tetrakis(3-hydroxy-2-methylpropyl)azanium

tetrakis(3-hydroxy-2-methylpropyl)azanium (PubChem CID 19093143) has the molecular formula C16H36NO4+ and a molecular weight of 306.47 g/mol. Its IUPAC name is tetrakis(3-hydroxy-2-methylpropyl)azanium.

Molecular Properties

Compound Nametetrakis(3-hydroxy-2-methylpropyl)azanium
PubChem CID19093143
Molecular FormulaC16H36NO4+
Molecular Weight306.47 g/mol
Exact Mass306.26
IUPAC Nametetrakis(3-hydroxy-2-methylpropyl)azanium
SMILESCC(CO)C[N+](CC(C)CO)(CC(C)CO)CC(C)CO
InChIInChI=1S/C16H36NO4/c1-13(9-18)5-17(6-14(2)10-19,7-15(3)11-20)8-16(4)12-21/h13-16,18-21H,5-12H2,1-4H3/q+1
InChIKeyRIXQKIKTEWJJEI-UHFFFAOYSA-N
XLogP0.32
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tris(but-2-enyl)-(3-hydroxy-2-methylpropyl)azanium
CID 57062260
ethane;2-methylpropane-1,3-diol
CID 87127502
2,4-dimethylpentane-1,5-diol
CID 10964552
2-methylbutan-1-ol;zirconium
CID 152608404
2,6-dimethylheptane-1,7-diol
CID 12653721
(2R,6R)-2,6-dimethylheptane-1,7-diol
CID 10534981
2,7-dimethyloctane-1,8-diol
CID 11008425
3-[(3-hydroxy-2-methylpropyl)diselanyl]-2-methylpropan-1-ol
CID 543231
(2R)-4-iodo-2-methylbutan-1-ol
CID 139766898
(2S,4R)-2,4,6-trimethylheptan-1-ol
CID 13109020
2-methyl-3-(methylamino)propan-1-ol
CID 23264324
carbanide;2-methylbutane-1,4-diol;titanium(2+)
CID 134981469

Frequently Asked Questions

What is the IUPAC name of tetrakis(3-hydroxy-2-methylpropyl)azanium?
The IUPAC name of tetrakis(3-hydroxy-2-methylpropyl)azanium (CID 19093143) is tetrakis(3-hydroxy-2-methylpropyl)azanium.
What is the SMILES notation for tetrakis(3-hydroxy-2-methylpropyl)azanium?
The canonical SMILES for tetrakis(3-hydroxy-2-methylpropyl)azanium is CC(CO)C[N+](CC(C)CO)(CC(C)CO)CC(C)CO.
What is the InChIKey of tetrakis(3-hydroxy-2-methylpropyl)azanium?
The InChIKey is RIXQKIKTEWJJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36NO4/c1-13(9-18)5-17(6-14(2)10-19,7-15(3)11-20)8-16(4)12-21/h13-16,18-21H,5-12H2,1-4H3/q+1.
What are the key properties of tetrakis(3-hydroxy-2-methylpropyl)azanium?
tetrakis(3-hydroxy-2-methylpropyl)azanium has a molecular weight of 306.47 g/mol, XLogP of 0.32, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(3-hydroxy-2-methylpropyl)azanium is sourced from PubChem (CID 19093143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).