tert-butyl(2-methylbutan-2-yl)azanium chloride

C9H22ClN — CID 16390

IUPACtert-butyl(2-methylbutan-2-yl)azanium chloride
SMILESCCC(C)(C)[NH2+]C(C)(C)C.[Cl-]
InChIInChI=1S/C9H21N.ClH/c1-7-9(5,6)10-8(2,3)4;/h10H,7H2,1-6H3;1H
InChIKeyQTZPHLRNSNHCGF-UHFFFAOYSA-N
MW179.73 g/mol
LogP-1.46
Rot. Bonds2

About tert-butyl(2-methylbutan-2-yl)azanium chloride

tert-butyl(2-methylbutan-2-yl)azanium chloride (PubChem CID 16390) has the molecular formula C9H22ClN and a molecular weight of 179.73 g/mol. Its IUPAC name is tert-butyl(2-methylbutan-2-yl)azanium chloride.

Molecular Properties

Compound Nametert-butyl(2-methylbutan-2-yl)azanium chloride
PubChem CID16390
Molecular FormulaC9H22ClN
Molecular Weight179.73 g/mol
Exact Mass179.14
IUPAC Nametert-butyl(2-methylbutan-2-yl)azanium chloride
SMILESCCC(C)(C)[NH2+]C(C)(C)C.[Cl-]
InChIInChI=1S/C9H21N.ClH/c1-7-9(5,6)10-8(2,3)4;/h10H,7H2,1-6H3;1H
InChIKeyQTZPHLRNSNHCGF-UHFFFAOYSA-N
XLogP-1.46
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.73
LogP ≤ 5-1.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tert-butyl(2-methylbutan-2-yl)azanium chloride?
The IUPAC name of tert-butyl(2-methylbutan-2-yl)azanium chloride (CID 16390) is tert-butyl(2-methylbutan-2-yl)azanium chloride.
What is the SMILES notation for tert-butyl(2-methylbutan-2-yl)azanium chloride?
The canonical SMILES for tert-butyl(2-methylbutan-2-yl)azanium chloride is CCC(C)(C)[NH2+]C(C)(C)C.[Cl-].
What is the InChIKey of tert-butyl(2-methylbutan-2-yl)azanium chloride?
The InChIKey is QTZPHLRNSNHCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.ClH/c1-7-9(5,6)10-8(2,3)4;/h10H,7H2,1-6H3;1H.
What are the key properties of tert-butyl(2-methylbutan-2-yl)azanium chloride?
tert-butyl(2-methylbutan-2-yl)azanium chloride has a molecular weight of 179.73 g/mol, XLogP of -1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(2-methylbutan-2-yl)azanium chloride is sourced from PubChem (CID 16390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).