N-(2-methoxypropan-2-yl)-N-oxidoaniline

C10H14NO2- — CID 163944848

IUPACN-(2-methoxypropan-2-yl)-N-oxidoaniline
SMILESCOC(C)(C)N([O-])c1ccccc1
InChIInChI=1S/C10H14NO2/c1-10(2,13-3)11(12)9-7-5-4-6-8-9/h4-8H,1-3H3/q-1
InChIKeyCQWQYTKBUFEFIA-UHFFFAOYSA-N
MW180.23 g/mol
LogP2.37
Rot. Bonds3

About N-(2-methoxypropan-2-yl)-N-oxidoaniline

N-(2-methoxypropan-2-yl)-N-oxidoaniline (PubChem CID 163944848) has the molecular formula C10H14NO2- and a molecular weight of 180.23 g/mol. Its IUPAC name is N-(2-methoxypropan-2-yl)-N-oxidoaniline.

Molecular Properties

Compound NameN-(2-methoxypropan-2-yl)-N-oxidoaniline
PubChem CID163944848
Molecular FormulaC10H14NO2-
Molecular Weight180.23 g/mol
Exact Mass180.10
IUPAC NameN-(2-methoxypropan-2-yl)-N-oxidoaniline
SMILESCOC(C)(C)N([O-])c1ccccc1
InChIInChI=1S/C10H14NO2/c1-10(2,13-3)11(12)9-7-5-4-6-8-9/h4-8H,1-3H3/q-1
InChIKeyCQWQYTKBUFEFIA-UHFFFAOYSA-N
XLogP2.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropan-2-yl)-N-oxidoaniline?
The IUPAC name of N-(2-methoxypropan-2-yl)-N-oxidoaniline (CID 163944848) is N-(2-methoxypropan-2-yl)-N-oxidoaniline.
What is the SMILES notation for N-(2-methoxypropan-2-yl)-N-oxidoaniline?
The canonical SMILES for N-(2-methoxypropan-2-yl)-N-oxidoaniline is COC(C)(C)N([O-])c1ccccc1.
What is the InChIKey of N-(2-methoxypropan-2-yl)-N-oxidoaniline?
The InChIKey is CQWQYTKBUFEFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14NO2/c1-10(2,13-3)11(12)9-7-5-4-6-8-9/h4-8H,1-3H3/q-1.
What are the key properties of N-(2-methoxypropan-2-yl)-N-oxidoaniline?
N-(2-methoxypropan-2-yl)-N-oxidoaniline has a molecular weight of 180.23 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropan-2-yl)-N-oxidoaniline is sourced from PubChem (CID 163944848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).