3-(methylaminooxy)propan-1-ol

C4H11NO2 — CID 117126701

IUPAC3-(methylaminooxy)propan-1-ol
SMILESCNOCCCO
InChIInChI=1S/C4H11NO2/c1-5-7-4-2-3-6/h5-6H,2-4H2,1H3
InChIKeyHDCSOVJJTFUIBB-UHFFFAOYSA-N
MW105.14 g/mol
LogP-0.48
Rot. Bonds4

About 3-(methylaminooxy)propan-1-ol

3-(methylaminooxy)propan-1-ol (PubChem CID 117126701) has the molecular formula C4H11NO2 and a molecular weight of 105.14 g/mol. Its IUPAC name is 3-(methylaminooxy)propan-1-ol.

Molecular Properties

Compound Name3-(methylaminooxy)propan-1-ol
PubChem CID117126701
Molecular FormulaC4H11NO2
Molecular Weight105.14 g/mol
Exact Mass105.08
IUPAC Name3-(methylaminooxy)propan-1-ol
SMILESCNOCCCO
InChIInChI=1S/C4H11NO2/c1-5-7-4-2-3-6/h5-6H,2-4H2,1H3
InChIKeyHDCSOVJJTFUIBB-UHFFFAOYSA-N
XLogP-0.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(chloroamino)oxypropan-1-ol
CID 88970647
methylaminooxymethanol
CID 57481133
N-[2-(2-(18F)fluoroethoxy)ethoxy]methanamine
CID 44632690
3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol
CID 91809447
acetic acid;3-methoxypropan-1-ol
CID 71363248
3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 155650334
3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 15061564
(2S)-2-(3-hydroxypropoxyamino)-3,3-dimethylbutanoic acid
CID 122494316
1-butoxybutane;3-butoxypropan-1-ol
CID 174728954
butan-1-ol;1,2-dimethoxyethane
CID 86595378
N-(2-ethenoxyethoxy)methanamine
CID 59596547
3-[1,1-bis(3-hydroxypropoxy)ethoxy]propan-1-ol
CID 87545299

Frequently Asked Questions

What is the IUPAC name of 3-(methylaminooxy)propan-1-ol?
The IUPAC name of 3-(methylaminooxy)propan-1-ol (CID 117126701) is 3-(methylaminooxy)propan-1-ol.
What is the SMILES notation for 3-(methylaminooxy)propan-1-ol?
The canonical SMILES for 3-(methylaminooxy)propan-1-ol is CNOCCCO.
What is the InChIKey of 3-(methylaminooxy)propan-1-ol?
The InChIKey is HDCSOVJJTFUIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2/c1-5-7-4-2-3-6/h5-6H,2-4H2,1H3.
What are the key properties of 3-(methylaminooxy)propan-1-ol?
3-(methylaminooxy)propan-1-ol has a molecular weight of 105.14 g/mol, XLogP of -0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminooxy)propan-1-ol is sourced from PubChem (CID 117126701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).