O-(6-methyl-3-propan-2-yloxan-2-yl)hydroxylamine

C9H19NO2 — CID 123542048

IUPACO-(6-methyl-3-propan-2-yloxan-2-yl)hydroxylamine
SMILESCC1CCC(C(C)C)C(ON)O1
InChIInChI=1S/C9H19NO2/c1-6(2)8-5-4-7(3)11-9(8)12-10/h6-9H,4-5,10H2,1-3H3
InChIKeyYVICOWYYPJBFEM-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.67
Rot. Bonds2

About O-(6-methyl-3-propan-2-yloxan-2-yl)hydroxylamine

O-(6-methyl-3-propan-2-yloxan-2-yl)hydroxylamine (PubChem CID 123542048) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is O-(6-methyl-3-propan-2-yloxan-2-yl)hydroxylamine.

Molecular Properties

Compound NameO-(6-methyl-3-propan-2-yloxan-2-yl)hydroxylamine
PubChem CID123542048
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameO-(6-methyl-3-propan-2-yloxan-2-yl)hydroxylamine
SMILESCC1CCC(C(C)C)C(ON)O1
InChIInChI=1S/C9H19NO2/c1-6(2)8-5-4-7(3)11-9(8)12-10/h6-9H,4-5,10H2,1-3H3
InChIKeyYVICOWYYPJBFEM-UHFFFAOYSA-N
XLogP1.67
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
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 O-(6-methyl-3-propan-2-yloxan-2-yl)hydroxylamine?
The IUPAC name of O-(6-methyl-3-propan-2-yloxan-2-yl)hydroxylamine (CID 123542048) is O-(6-methyl-3-propan-2-yloxan-2-yl)hydroxylamine.
What is the SMILES notation for O-(6-methyl-3-propan-2-yloxan-2-yl)hydroxylamine?
The canonical SMILES for O-(6-methyl-3-propan-2-yloxan-2-yl)hydroxylamine is CC1CCC(C(C)C)C(ON)O1.
What is the InChIKey of O-(6-methyl-3-propan-2-yloxan-2-yl)hydroxylamine?
The InChIKey is YVICOWYYPJBFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-6(2)8-5-4-7(3)11-9(8)12-10/h6-9H,4-5,10H2,1-3H3.
What are the key properties of O-(6-methyl-3-propan-2-yloxan-2-yl)hydroxylamine?
O-(6-methyl-3-propan-2-yloxan-2-yl)hydroxylamine has a molecular weight of 173.26 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(6-methyl-3-propan-2-yloxan-2-yl)hydroxylamine is sourced from PubChem (CID 123542048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).