O-(3-methylbutyl)hydroxylamine

C5H13NO — CID 536481

IUPACO-(3-methylbutyl)hydroxylamine
SMILESCC(C)CCON
InChIInChI=1S/C5H13NO/c1-5(2)3-4-7-6/h5H,3-4,6H2,1-2H3
InChIKeyPXWPXXJVCQOIPH-UHFFFAOYSA-N
MW103.17 g/mol
LogP0.92
Rot. Bonds3

About O-(3-methylbutyl)hydroxylamine

O-(3-methylbutyl)hydroxylamine (PubChem CID 536481) has the molecular formula C5H13NO and a molecular weight of 103.17 g/mol. Its IUPAC name is O-(3-methylbutyl)hydroxylamine.

Molecular Properties

Compound NameO-(3-methylbutyl)hydroxylamine
PubChem CID536481
Molecular FormulaC5H13NO
Molecular Weight103.17 g/mol
Exact Mass103.10
IUPAC NameO-(3-methylbutyl)hydroxylamine
SMILESCC(C)CCON
InChIInChI=1S/C5H13NO/c1-5(2)3-4-7-6/h5H,3-4,6H2,1-2H3
InChIKeyPXWPXXJVCQOIPH-UHFFFAOYSA-N
XLogP0.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.17
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-methylbutyl)hydroxylamine?
The IUPAC name of O-(3-methylbutyl)hydroxylamine (CID 536481) is O-(3-methylbutyl)hydroxylamine.
What is the SMILES notation for O-(3-methylbutyl)hydroxylamine?
The canonical SMILES for O-(3-methylbutyl)hydroxylamine is CC(C)CCON.
What is the InChIKey of O-(3-methylbutyl)hydroxylamine?
The InChIKey is PXWPXXJVCQOIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO/c1-5(2)3-4-7-6/h5H,3-4,6H2,1-2H3.
What are the key properties of O-(3-methylbutyl)hydroxylamine?
O-(3-methylbutyl)hydroxylamine has a molecular weight of 103.17 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-(3-methylbutyl)hydroxylamine is sourced from PubChem (CID 536481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).