N-tert-butyl-2-methylpropan-2-amine oxide

C8H19NO — CID 19593598

IUPACN-tert-butyl-2-methylpropan-2-amine oxide
SMILESCC(C)(C)[NH+]([O-])C(C)(C)C
InChIInChI=1S/C8H19NO/c1-7(2,3)9(10)8(4,5)6/h9H,1-6H3
InChIKeyVSBKDWZVFWTSMA-UHFFFAOYSA-N
MW145.25 g/mol
LogP0.97
Rot. Bonds

About N-tert-butyl-2-methylpropan-2-amine oxide

N-tert-butyl-2-methylpropan-2-amine oxide (PubChem CID 19593598) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is N-tert-butyl-2-methylpropan-2-amine oxide.

Molecular Properties

Compound NameN-tert-butyl-2-methylpropan-2-amine oxide
PubChem CID19593598
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC NameN-tert-butyl-2-methylpropan-2-amine oxide
SMILESCC(C)(C)[NH+]([O-])C(C)(C)C
InChIInChI=1S/C8H19NO/c1-7(2,3)9(10)8(4,5)6/h9H,1-6H3
InChIKeyVSBKDWZVFWTSMA-UHFFFAOYSA-N
XLogP0.97
TPSA27.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methylpropan-2-amine oxide?
The IUPAC name of N-tert-butyl-2-methylpropan-2-amine oxide (CID 19593598) is N-tert-butyl-2-methylpropan-2-amine oxide.
What is the SMILES notation for N-tert-butyl-2-methylpropan-2-amine oxide?
The canonical SMILES for N-tert-butyl-2-methylpropan-2-amine oxide is CC(C)(C)[NH+]([O-])C(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methylpropan-2-amine oxide?
The InChIKey is VSBKDWZVFWTSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-7(2,3)9(10)8(4,5)6/h9H,1-6H3.
What are the key properties of N-tert-butyl-2-methylpropan-2-amine oxide?
N-tert-butyl-2-methylpropan-2-amine oxide has a molecular weight of 145.25 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methylpropan-2-amine oxide is sourced from PubChem (CID 19593598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).