N-[(2-methylpropan-2-yl)oxy]-N-oxidobicyclo[2.2.1]hept-5-en-2-amine

C11H18NO2- — CID 163470143

IUPACN-[(2-methylpropan-2-yl)oxy]-N-oxidobicyclo[2.2.1]hept-5-en-2-amine
SMILESCC(C)(C)ON([O-])C1CC2C=CC1C2
InChIInChI=1S/C11H18NO2/c1-11(2,3)14-12(13)10-7-8-4-5-9(10)6-8/h4-5,8-10H,6-7H2,1-3H3/q-1
InChIKeyJQDUXRMIHYOVGA-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.48
Rot. Bonds2

About N-[(2-methylpropan-2-yl)oxy]-N-oxidobicyclo[2.2.1]hept-5-en-2-amine

N-[(2-methylpropan-2-yl)oxy]-N-oxidobicyclo[2.2.1]hept-5-en-2-amine (PubChem CID 163470143) has the molecular formula C11H18NO2- and a molecular weight of 196.27 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]-N-oxidobicyclo[2.2.1]hept-5-en-2-amine.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]-N-oxidobicyclo[2.2.1]hept-5-en-2-amine
PubChem CID163470143
Molecular FormulaC11H18NO2-
Molecular Weight196.27 g/mol
Exact Mass196.13
IUPAC NameN-[(2-methylpropan-2-yl)oxy]-N-oxidobicyclo[2.2.1]hept-5-en-2-amine
SMILESCC(C)(C)ON([O-])C1CC2C=CC1C2
InChIInChI=1S/C11H18NO2/c1-11(2,3)14-12(13)10-7-8-4-5-9(10)6-8/h4-5,8-10H,6-7H2,1-3H3/q-1
InChIKeyJQDUXRMIHYOVGA-UHFFFAOYSA-N
XLogP2.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-methylpropan-2-yl)oxy]-N-oxidobicyclo[2.2.1]hept-5-en-2-amine?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]-N-oxidobicyclo[2.2.1]hept-5-en-2-amine (CID 163470143) is N-[(2-methylpropan-2-yl)oxy]-N-oxidobicyclo[2.2.1]hept-5-en-2-amine.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]-N-oxidobicyclo[2.2.1]hept-5-en-2-amine?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]-N-oxidobicyclo[2.2.1]hept-5-en-2-amine is CC(C)(C)ON([O-])C1CC2C=CC1C2.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]-N-oxidobicyclo[2.2.1]hept-5-en-2-amine?
The InChIKey is JQDUXRMIHYOVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18NO2/c1-11(2,3)14-12(13)10-7-8-4-5-9(10)6-8/h4-5,8-10H,6-7H2,1-3H3/q-1.
What are the key properties of N-[(2-methylpropan-2-yl)oxy]-N-oxidobicyclo[2.2.1]hept-5-en-2-amine?
N-[(2-methylpropan-2-yl)oxy]-N-oxidobicyclo[2.2.1]hept-5-en-2-amine has a molecular weight of 196.27 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]-N-oxidobicyclo[2.2.1]hept-5-en-2-amine is sourced from PubChem (CID 163470143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).