tetrakis(1-hydroxybutan-2-yl)azanium

C16H36NO4+ — CID 19093157

IUPACtetrakis(1-hydroxybutan-2-yl)azanium
SMILESCCC(CO)[N+](C(CC)CO)(C(CC)CO)C(CC)CO
InChIInChI=1S/C16H36NO4/c1-5-13(9-18)17(14(6-2)10-19,15(7-3)11-20)16(8-4)12-21/h13-16,18-21H,5-12H2,1-4H3/q+1
InChIKeyHASKVHKNKUXCMQ-UHFFFAOYSA-N
MW306.47 g/mol
LogP0.89
Rot. Bonds12

About tetrakis(1-hydroxybutan-2-yl)azanium

tetrakis(1-hydroxybutan-2-yl)azanium (PubChem CID 19093157) has the molecular formula C16H36NO4+ and a molecular weight of 306.47 g/mol. Its IUPAC name is tetrakis(1-hydroxybutan-2-yl)azanium.

Molecular Properties

Compound Nametetrakis(1-hydroxybutan-2-yl)azanium
PubChem CID19093157
Molecular FormulaC16H36NO4+
Molecular Weight306.47 g/mol
Exact Mass306.26
IUPAC Nametetrakis(1-hydroxybutan-2-yl)azanium
SMILESCCC(CO)[N+](C(CC)CO)(C(CC)CO)C(CC)CO
InChIInChI=1S/C16H36NO4/c1-5-13(9-18)17(14(6-2)10-19,15(7-3)11-20)16(8-4)12-21/h13-16,18-21H,5-12H2,1-4H3/q+1
InChIKeyHASKVHKNKUXCMQ-UHFFFAOYSA-N
XLogP0.89
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 ≤ 50.89
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

1,3-dihydroxypropan-2-yl(trimethyl)azanium
CID 21129359
2-methylbutan-1-ol;zirconium
CID 152608404
1-hydroxybutan-2-yl-dimethyl-prop-2-enylazanium;chloride;hydrate
CID 175241639
(2S,4R,6R,8R,10R)-2,4,6,8,10-pentamethyldodecan-1-ol
CID 54763066
tetrakis(3-hydroxy-2-methylpropyl)azanium
CID 19093143
butane-1,2-diol;methane
CID 158754649
(2S,3S)-pentane-1,2,3-triol
CID 11636797
pentane-1,2,3-triol
CID 547785
butane-1,2-diol;hydrochloride
CID 141185193
1-hydroxyicosan-2-yl(trimethyl)azanium
CID 122612180
ethanol;sulfane;titanium
CID 174910918
ethane;2-methylpropane-1,3-diol
CID 87127502

Frequently Asked Questions

What is the IUPAC name of tetrakis(1-hydroxybutan-2-yl)azanium?
The IUPAC name of tetrakis(1-hydroxybutan-2-yl)azanium (CID 19093157) is tetrakis(1-hydroxybutan-2-yl)azanium.
What is the SMILES notation for tetrakis(1-hydroxybutan-2-yl)azanium?
The canonical SMILES for tetrakis(1-hydroxybutan-2-yl)azanium is CCC(CO)[N+](C(CC)CO)(C(CC)CO)C(CC)CO.
What is the InChIKey of tetrakis(1-hydroxybutan-2-yl)azanium?
The InChIKey is HASKVHKNKUXCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36NO4/c1-5-13(9-18)17(14(6-2)10-19,15(7-3)11-20)16(8-4)12-21/h13-16,18-21H,5-12H2,1-4H3/q+1.
What are the key properties of tetrakis(1-hydroxybutan-2-yl)azanium?
tetrakis(1-hydroxybutan-2-yl)azanium has a molecular weight of 306.47 g/mol, XLogP of 0.89, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1-hydroxybutan-2-yl)azanium is sourced from PubChem (CID 19093157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).