azanium;2,2-diethylbutan-1-ol;hydroxide

C8H23NO2 — CID 161381888

IUPACazanium;2,2-diethylbutan-1-ol;hydroxide
SMILESCCC(CC)(CC)CO.[NH4+].[OH-]
InChIInChI=1S/C8H18O.H3N.H2O/c1-4-8(5-2,6-3)7-9;;/h9H,4-7H2,1-3H3;1H3;1H2
InChIKeyVRVCQADVLFETHK-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.39
Rot. Bonds4

About azanium;2,2-diethylbutan-1-ol;hydroxide

azanium;2,2-diethylbutan-1-ol;hydroxide (PubChem CID 161381888) has the molecular formula C8H23NO2 and a molecular weight of 165.28 g/mol. Its IUPAC name is azanium;2,2-diethylbutan-1-ol;hydroxide.

Molecular Properties

Compound Nameazanium;2,2-diethylbutan-1-ol;hydroxide
PubChem CID161381888
Molecular FormulaC8H23NO2
Molecular Weight165.28 g/mol
Exact Mass165.17
IUPAC Nameazanium;2,2-diethylbutan-1-ol;hydroxide
SMILESCCC(CC)(CC)CO.[NH4+].[OH-]
InChIInChI=1S/C8H18O.H3N.H2O/c1-4-8(5-2,6-3)7-9;;/h9H,4-7H2,1-3H3;1H3;1H2
InChIKeyVRVCQADVLFETHK-UHFFFAOYSA-N
XLogP2.39
TPSA86.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

alumane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 175039702
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;propane
CID 159142277
ethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 88683214
2,4-diethyl-2,4-bis(hydroxymethyl)pentane-1,5-diol
CID 11644235
CID 87987203
CID 87987203
2,2,5,5-tetraethylheptan-1-ol
CID 20826079
2-ethyl-2-(iodomethyl)propane-1,3-diol
CID 118585787
2-(bromomethyl)-2-ethylbutan-1-ol
CID 14105233
2-(aminomethyl)-2-ethylpropane-1,3-diol
CID 22736429
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;formic acid
CID 87346314
3,3-diethylhexane;2,2-diethylpentan-1-ol
CID 159667667
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;formic acid
CID 159069506

Frequently Asked Questions

What is the IUPAC name of azanium;2,2-diethylbutan-1-ol;hydroxide?
The IUPAC name of azanium;2,2-diethylbutan-1-ol;hydroxide (CID 161381888) is azanium;2,2-diethylbutan-1-ol;hydroxide.
What is the SMILES notation for azanium;2,2-diethylbutan-1-ol;hydroxide?
The canonical SMILES for azanium;2,2-diethylbutan-1-ol;hydroxide is CCC(CC)(CC)CO.[NH4+].[OH-].
What is the InChIKey of azanium;2,2-diethylbutan-1-ol;hydroxide?
The InChIKey is VRVCQADVLFETHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.H3N.H2O/c1-4-8(5-2,6-3)7-9;;/h9H,4-7H2,1-3H3;1H3;1H2.
What are the key properties of azanium;2,2-diethylbutan-1-ol;hydroxide?
azanium;2,2-diethylbutan-1-ol;hydroxide has a molecular weight of 165.28 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;2,2-diethylbutan-1-ol;hydroxide is sourced from PubChem (CID 161381888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).