O-[[1-(aminooxymethyl)cyclopropyl]methyl]hydroxylamine;ethane

C7H18N2O2 — CID 143696850

IUPACO-[[1-(aminooxymethyl)cyclopropyl]methyl]hydroxylamine;ethane
SMILESCC.NOCC1(CON)CC1
InChIInChI=1S/C5H12N2O2.C2H6/c6-8-3-5(1-2-5)4-9-7;1-2/h1-4,6-7H2;1-2H3
InChIKeyBDINWMQGAUFJNB-UHFFFAOYSA-N
MW162.23 g/mol
LogP0.57
Rot. Bonds4

About O-[[1-(aminooxymethyl)cyclopropyl]methyl]hydroxylamine;ethane

O-[[1-(aminooxymethyl)cyclopropyl]methyl]hydroxylamine;ethane (PubChem CID 143696850) has the molecular formula C7H18N2O2 and a molecular weight of 162.23 g/mol. Its IUPAC name is O-[[1-(aminooxymethyl)cyclopropyl]methyl]hydroxylamine;ethane.

Molecular Properties

Compound NameO-[[1-(aminooxymethyl)cyclopropyl]methyl]hydroxylamine;ethane
PubChem CID143696850
Molecular FormulaC7H18N2O2
Molecular Weight162.23 g/mol
Exact Mass162.14
IUPAC NameO-[[1-(aminooxymethyl)cyclopropyl]methyl]hydroxylamine;ethane
SMILESCC.NOCC1(CON)CC1
InChIInChI=1S/C5H12N2O2.C2H6/c6-8-3-5(1-2-5)4-9-7;1-2/h1-4,6-7H2;1-2H3
InChIKeyBDINWMQGAUFJNB-UHFFFAOYSA-N
XLogP0.57
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[[1-(aminooxymethyl)cyclopropyl]methyl]hydroxylamine;ethane?
The IUPAC name of O-[[1-(aminooxymethyl)cyclopropyl]methyl]hydroxylamine;ethane (CID 143696850) is O-[[1-(aminooxymethyl)cyclopropyl]methyl]hydroxylamine;ethane.
What is the SMILES notation for O-[[1-(aminooxymethyl)cyclopropyl]methyl]hydroxylamine;ethane?
The canonical SMILES for O-[[1-(aminooxymethyl)cyclopropyl]methyl]hydroxylamine;ethane is CC.NOCC1(CON)CC1.
What is the InChIKey of O-[[1-(aminooxymethyl)cyclopropyl]methyl]hydroxylamine;ethane?
The InChIKey is BDINWMQGAUFJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2.C2H6/c6-8-3-5(1-2-5)4-9-7;1-2/h1-4,6-7H2;1-2H3.
What are the key properties of O-[[1-(aminooxymethyl)cyclopropyl]methyl]hydroxylamine;ethane?
O-[[1-(aminooxymethyl)cyclopropyl]methyl]hydroxylamine;ethane has a molecular weight of 162.23 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[1-(aminooxymethyl)cyclopropyl]methyl]hydroxylamine;ethane is sourced from PubChem (CID 143696850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).