1-aminooxy-3-(methylamino)propan-2-ol;dihydrochloride

C4H14Cl2N2O2 — CID 19807381

IUPAC1-aminooxy-3-(methylamino)propan-2-ol;dihydrochloride
SMILESCNCC(O)CON.Cl.Cl
InChIInChI=1S/C4H12N2O2.2ClH/c1-6-2-4(7)3-8-5;;/h4,6-7H,2-3,5H2,1H3;2*1H
InChIKeyUGDQSZGXLKHEGT-UHFFFAOYSA-N
MW193.07 g/mol
LogP-0.70
Rot. Bonds4

About 1-aminooxy-3-(methylamino)propan-2-ol;dihydrochloride

1-aminooxy-3-(methylamino)propan-2-ol;dihydrochloride (PubChem CID 19807381) has the molecular formula C4H14Cl2N2O2 and a molecular weight of 193.07 g/mol. Its IUPAC name is 1-aminooxy-3-(methylamino)propan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-aminooxy-3-(methylamino)propan-2-ol;dihydrochloride
PubChem CID19807381
Molecular FormulaC4H14Cl2N2O2
Molecular Weight193.07 g/mol
Exact Mass192.04
IUPAC Name1-aminooxy-3-(methylamino)propan-2-ol;dihydrochloride
SMILESCNCC(O)CON.Cl.Cl
InChIInChI=1S/C4H12N2O2.2ClH/c1-6-2-4(7)3-8-5;;/h4,6-7H,2-3,5H2,1H3;2*1H
InChIKeyUGDQSZGXLKHEGT-UHFFFAOYSA-N
XLogP-0.70
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.07
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-aminooxy-3-(tert-butylamino)propan-2-ol;dihydrochloride
CID 13017286
[2-hydroxy-3-(methylamino)propyl] 2-methylbutanoate
CID 134215870
1-(methylamino)-3-methylperoxypropan-2-ol;prop-1-ene
CID 91148129
1-[2,2-bis[[2-hydroxy-3-(methylamino)propoxy]methyl]-3-(methylamino)propoxy]-3-(methylamino)propan-2-ol
CID 171850377
1-(methylamino)butan-2-ol;hydrate
CID 173049330
3-amino-3-ethyl-1-[2-[2-[2-[2-hydroxy-3-(methylamino)propoxy]ethoxy]ethoxy]ethoxy]pentan-2-ol
CID 89316703
(2R)-1-(3,5-dichlorophenoxy)-3-(methylamino)propan-2-ol
CID 39352654
(2S,3S)-1,4-bis(methylamino)butane-2,3-diol
CID 100939749
1-(dimethylamino)-3-(methylamino)propan-2-ol
CID 12700841
3-(methylamino)propane-1,2-diol;molecular iodine;yttrium
CID 161205708
O-[1-(methylamino)butan-2-yl]hydroxylamine
CID 118650526
1-(4-ethylphenoxy)-3-(methylamino)propan-2-ol
CID 43188012

Frequently Asked Questions

What is the IUPAC name of 1-aminooxy-3-(methylamino)propan-2-ol;dihydrochloride?
The IUPAC name of 1-aminooxy-3-(methylamino)propan-2-ol;dihydrochloride (CID 19807381) is 1-aminooxy-3-(methylamino)propan-2-ol;dihydrochloride.
What is the SMILES notation for 1-aminooxy-3-(methylamino)propan-2-ol;dihydrochloride?
The canonical SMILES for 1-aminooxy-3-(methylamino)propan-2-ol;dihydrochloride is CNCC(O)CON.Cl.Cl.
What is the InChIKey of 1-aminooxy-3-(methylamino)propan-2-ol;dihydrochloride?
The InChIKey is UGDQSZGXLKHEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O2.2ClH/c1-6-2-4(7)3-8-5;;/h4,6-7H,2-3,5H2,1H3;2*1H.
What are the key properties of 1-aminooxy-3-(methylamino)propan-2-ol;dihydrochloride?
1-aminooxy-3-(methylamino)propan-2-ol;dihydrochloride has a molecular weight of 193.07 g/mol, XLogP of -0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminooxy-3-(methylamino)propan-2-ol;dihydrochloride is sourced from PubChem (CID 19807381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).