tert-butyl-formyl-dimethylazanium

C7H16NO+ — CID 19367975

IUPACtert-butyl-formyl-dimethylazanium
SMILESCC(C)(C)[N+](C)(C)C=O
InChIInChI=1S/C7H16NO/c1-7(2,3)8(4,5)6-9/h6H,1-5H3/q+1
InChIKeyLPQPFVHVJCGTKY-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.02
Rot. Bonds1

About tert-butyl-formyl-dimethylazanium

tert-butyl-formyl-dimethylazanium (PubChem CID 19367975) has the molecular formula C7H16NO+ and a molecular weight of 130.21 g/mol. Its IUPAC name is tert-butyl-formyl-dimethylazanium.

Molecular Properties

Compound Nametert-butyl-formyl-dimethylazanium
PubChem CID19367975
Molecular FormulaC7H16NO+
Molecular Weight130.21 g/mol
Exact Mass130.12
IUPAC Nametert-butyl-formyl-dimethylazanium
SMILESCC(C)(C)[N+](C)(C)C=O
InChIInChI=1S/C7H16NO/c1-7(2,3)8(4,5)6-9/h6H,1-5H3/q+1
InChIKeyLPQPFVHVJCGTKY-UHFFFAOYSA-N
XLogP1.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-formyl-dimethylazanium?
The IUPAC name of tert-butyl-formyl-dimethylazanium (CID 19367975) is tert-butyl-formyl-dimethylazanium.
What is the SMILES notation for tert-butyl-formyl-dimethylazanium?
The canonical SMILES for tert-butyl-formyl-dimethylazanium is CC(C)(C)[N+](C)(C)C=O.
What is the InChIKey of tert-butyl-formyl-dimethylazanium?
The InChIKey is LPQPFVHVJCGTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO/c1-7(2,3)8(4,5)6-9/h6H,1-5H3/q+1.
What are the key properties of tert-butyl-formyl-dimethylazanium?
tert-butyl-formyl-dimethylazanium has a molecular weight of 130.21 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-formyl-dimethylazanium is sourced from PubChem (CID 19367975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).