tert-butyl(trimethyl)azanium

C7H18N+ — CID 14157076

IUPACtert-butyl(trimethyl)azanium
SMILESCC(C)(C)[N+](C)(C)C
InChIInChI=1S/C7H18N/c1-7(2,3)8(4,5)6/h1-6H3/q+1
InChIKeySPJZSTLXABSXII-UHFFFAOYSA-N
MW116.23 g/mol
LogP1.49
Rot. Bonds

About tert-butyl(trimethyl)azanium

tert-butyl(trimethyl)azanium (PubChem CID 14157076) has the molecular formula C7H18N+ and a molecular weight of 116.23 g/mol. Its IUPAC name is tert-butyl(trimethyl)azanium.

Molecular Properties

Compound Nametert-butyl(trimethyl)azanium
PubChem CID14157076
Molecular FormulaC7H18N+
Molecular Weight116.23 g/mol
Exact Mass116.14
IUPAC Nametert-butyl(trimethyl)azanium
SMILESCC(C)(C)[N+](C)(C)C
InChIInChI=1S/C7H18N/c1-7(2,3)8(4,5)6/h1-6H3/q+1
InChIKeySPJZSTLXABSXII-UHFFFAOYSA-N
XLogP1.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.23
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl(trimethyl)azanium?
The IUPAC name of tert-butyl(trimethyl)azanium (CID 14157076) is tert-butyl(trimethyl)azanium.
What is the SMILES notation for tert-butyl(trimethyl)azanium?
The canonical SMILES for tert-butyl(trimethyl)azanium is CC(C)(C)[N+](C)(C)C.
What is the InChIKey of tert-butyl(trimethyl)azanium?
The InChIKey is SPJZSTLXABSXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N/c1-7(2,3)8(4,5)6/h1-6H3/q+1.
What are the key properties of tert-butyl(trimethyl)azanium?
tert-butyl(trimethyl)azanium has a molecular weight of 116.23 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(trimethyl)azanium is sourced from PubChem (CID 14157076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).