N-[(2-ethyl-2-adamantyl)oxy]-N-oxidomethanamine

C13H22NO2- — CID 163518738

IUPACN-[(2-ethyl-2-adamantyl)oxy]-N-oxidomethanamine
SMILESCCC1(ON(C)[O-])C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H22NO2/c1-3-13(16-14(2)15)11-5-9-4-10(7-11)8-12(13)6-9/h9-12H,3-8H2,1-2H3/q-1
InChIKeyGHJPRQYWIBAGPA-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.95
Rot. Bonds3

About N-[(2-ethyl-2-adamantyl)oxy]-N-oxidomethanamine

N-[(2-ethyl-2-adamantyl)oxy]-N-oxidomethanamine (PubChem CID 163518738) has the molecular formula C13H22NO2- and a molecular weight of 224.32 g/mol. Its IUPAC name is N-[(2-ethyl-2-adamantyl)oxy]-N-oxidomethanamine.

Molecular Properties

Compound NameN-[(2-ethyl-2-adamantyl)oxy]-N-oxidomethanamine
PubChem CID163518738
Molecular FormulaC13H22NO2-
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC NameN-[(2-ethyl-2-adamantyl)oxy]-N-oxidomethanamine
SMILESCCC1(ON(C)[O-])C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H22NO2/c1-3-13(16-14(2)15)11-5-9-4-10(7-11)8-12(13)6-9/h9-12H,3-8H2,1-2H3/q-1
InChIKeyGHJPRQYWIBAGPA-UHFFFAOYSA-N
XLogP2.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(2-ethyl-2-adamantyl)oxy]-N-oxidomethanamine?
The IUPAC name of N-[(2-ethyl-2-adamantyl)oxy]-N-oxidomethanamine (CID 163518738) is N-[(2-ethyl-2-adamantyl)oxy]-N-oxidomethanamine.
What is the SMILES notation for N-[(2-ethyl-2-adamantyl)oxy]-N-oxidomethanamine?
The canonical SMILES for N-[(2-ethyl-2-adamantyl)oxy]-N-oxidomethanamine is CCC1(ON(C)[O-])C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[(2-ethyl-2-adamantyl)oxy]-N-oxidomethanamine?
The InChIKey is GHJPRQYWIBAGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22NO2/c1-3-13(16-14(2)15)11-5-9-4-10(7-11)8-12(13)6-9/h9-12H,3-8H2,1-2H3/q-1.
What are the key properties of N-[(2-ethyl-2-adamantyl)oxy]-N-oxidomethanamine?
N-[(2-ethyl-2-adamantyl)oxy]-N-oxidomethanamine has a molecular weight of 224.32 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-2-adamantyl)oxy]-N-oxidomethanamine is sourced from PubChem (CID 163518738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).