O-[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylbutyl]hydroxylamine

C12H28N2O3 — CID 123603845

IUPACO-[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylbutyl]hydroxylamine
SMILESCCC(C)(CON)OCCC(C)(C)OCCN
InChIInChI=1S/C12H28N2O3/c1-5-12(4,10-17-14)16-8-6-11(2,3)15-9-7-13/h5-10,13-14H2,1-4H3
InChIKeySINWLWYQKIGGHP-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.21
Rot. Bonds10

About O-[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylbutyl]hydroxylamine

O-[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylbutyl]hydroxylamine (PubChem CID 123603845) has the molecular formula C12H28N2O3 and a molecular weight of 248.37 g/mol. Its IUPAC name is O-[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylbutyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylbutyl]hydroxylamine
PubChem CID123603845
Molecular FormulaC12H28N2O3
Molecular Weight248.37 g/mol
Exact Mass248.21
IUPAC NameO-[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylbutyl]hydroxylamine
SMILESCCC(C)(CON)OCCC(C)(C)OCCN
InChIInChI=1S/C12H28N2O3/c1-5-12(4,10-17-14)16-8-6-11(2,3)15-9-7-13/h5-10,13-14H2,1-4H3
InChIKeySINWLWYQKIGGHP-UHFFFAOYSA-N
XLogP1.21
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 O-[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylbutyl]hydroxylamine?
The IUPAC name of O-[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylbutyl]hydroxylamine (CID 123603845) is O-[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylbutyl]hydroxylamine.
What is the SMILES notation for O-[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylbutyl]hydroxylamine?
The canonical SMILES for O-[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylbutyl]hydroxylamine is CCC(C)(CON)OCCC(C)(C)OCCN.
What is the InChIKey of O-[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylbutyl]hydroxylamine?
The InChIKey is SINWLWYQKIGGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O3/c1-5-12(4,10-17-14)16-8-6-11(2,3)15-9-7-13/h5-10,13-14H2,1-4H3.
What are the key properties of O-[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylbutyl]hydroxylamine?
O-[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylbutyl]hydroxylamine has a molecular weight of 248.37 g/mol, XLogP of 1.21, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylbutyl]hydroxylamine is sourced from PubChem (CID 123603845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).