N-(1-methoxybutan-2-yl)hydroxylamine

C5H13NO2 — CID 54458429

IUPACN-(1-methoxybutan-2-yl)hydroxylamine
SMILESCCC(COC)NO
InChIInChI=1S/C5H13NO2/c1-3-5(6-7)4-8-2/h5-7H,3-4H2,1-2H3
InChIKeyWZWCRWISXLCHGZ-UHFFFAOYSA-N
MW119.16 g/mol
LogP0.39
Rot. Bonds4

About N-(1-methoxybutan-2-yl)hydroxylamine

N-(1-methoxybutan-2-yl)hydroxylamine (PubChem CID 54458429) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is N-(1-methoxybutan-2-yl)hydroxylamine.

Molecular Properties

Compound NameN-(1-methoxybutan-2-yl)hydroxylamine
PubChem CID54458429
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC NameN-(1-methoxybutan-2-yl)hydroxylamine
SMILESCCC(COC)NO
InChIInChI=1S/C5H13NO2/c1-3-5(6-7)4-8-2/h5-7H,3-4H2,1-2H3
InChIKeyWZWCRWISXLCHGZ-UHFFFAOYSA-N
XLogP0.39
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(1-methoxybutan-2-yl)hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-1-methoxybutan-2-yl]acetamide
CID 118873564
N-(1-methoxybutan-2-yl)propanamide
CID 64590697
2-(1-methoxybutan-2-yl)-1,1-dimethylhydrazine
CID 83007335
(Z)-4-(1-methoxybutan-2-ylamino)-2-methylbut-2-enoic acid
CID 103253451
tert-butyl N-[(2S)-1-methoxybutan-2-yl]carbamate
CID 46941495
(2R)-2-amino-N-(1-methoxybutan-2-yl)-3-methylbutanamide
CID 79012417
3-(1-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol
CID 104925958
3-(heptan-3-ylamino)-4-methoxybutan-1-ol
CID 115722634
2-(1-methoxypropan-2-ylamino)-N-pentan-3-ylacetamide
CID 60672224
1,3-dimethoxy-N-methylpropan-2-amine;ethane
CID 171819113
3-(2-ethylbutylamino)-4-methoxybutan-1-ol
CID 115756936
2-[(1-hydroxy-3-methoxypropan-2-yl)amino]butanoic acid
CID 106187891

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxybutan-2-yl)hydroxylamine?
The IUPAC name of N-(1-methoxybutan-2-yl)hydroxylamine (CID 54458429) is N-(1-methoxybutan-2-yl)hydroxylamine.
What is the SMILES notation for N-(1-methoxybutan-2-yl)hydroxylamine?
The canonical SMILES for N-(1-methoxybutan-2-yl)hydroxylamine is CCC(COC)NO.
What is the InChIKey of N-(1-methoxybutan-2-yl)hydroxylamine?
The InChIKey is WZWCRWISXLCHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2/c1-3-5(6-7)4-8-2/h5-7H,3-4H2,1-2H3.
What are the key properties of N-(1-methoxybutan-2-yl)hydroxylamine?
N-(1-methoxybutan-2-yl)hydroxylamine has a molecular weight of 119.16 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxybutan-2-yl)hydroxylamine is sourced from PubChem (CID 54458429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).