tert-butyl(3-hydroxybutyl)azanium hydroxide

C8H21NO2 — CID 22731852

IUPACtert-butyl(3-hydroxybutyl)azanium hydroxide
SMILESCC(O)CC[NH2+]C(C)(C)C.[OH-]
InChIInChI=1S/C8H19NO.H2O/c1-7(10)5-6-9-8(2,3)4;/h7,9-10H,5-6H2,1-4H3;1H2
InChIKeyNOXWUKAHRRVJTL-UHFFFAOYSA-N
MW163.26 g/mol
LogP-0.06
Rot. Bonds3

About tert-butyl(3-hydroxybutyl)azanium hydroxide

tert-butyl(3-hydroxybutyl)azanium hydroxide (PubChem CID 22731852) has the molecular formula C8H21NO2 and a molecular weight of 163.26 g/mol. Its IUPAC name is tert-butyl(3-hydroxybutyl)azanium hydroxide.

Molecular Properties

Compound Nametert-butyl(3-hydroxybutyl)azanium hydroxide
PubChem CID22731852
Molecular FormulaC8H21NO2
Molecular Weight163.26 g/mol
Exact Mass163.16
IUPAC Nametert-butyl(3-hydroxybutyl)azanium hydroxide
SMILESCC(O)CC[NH2+]C(C)(C)C.[OH-]
InChIInChI=1S/C8H19NO.H2O/c1-7(10)5-6-9-8(2,3)4;/h7,9-10H,5-6H2,1-4H3;1H2
InChIKeyNOXWUKAHRRVJTL-UHFFFAOYSA-N
XLogP-0.06
TPSA66.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl(3-hydroxybutyl)azanium hydroxide?
The IUPAC name of tert-butyl(3-hydroxybutyl)azanium hydroxide (CID 22731852) is tert-butyl(3-hydroxybutyl)azanium hydroxide.
What is the SMILES notation for tert-butyl(3-hydroxybutyl)azanium hydroxide?
The canonical SMILES for tert-butyl(3-hydroxybutyl)azanium hydroxide is CC(O)CC[NH2+]C(C)(C)C.[OH-].
What is the InChIKey of tert-butyl(3-hydroxybutyl)azanium hydroxide?
The InChIKey is NOXWUKAHRRVJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO.H2O/c1-7(10)5-6-9-8(2,3)4;/h7,9-10H,5-6H2,1-4H3;1H2.
What are the key properties of tert-butyl(3-hydroxybutyl)azanium hydroxide?
tert-butyl(3-hydroxybutyl)azanium hydroxide has a molecular weight of 163.26 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(3-hydroxybutyl)azanium hydroxide is sourced from PubChem (CID 22731852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).