1-(hydroxymethylamino)propan-2-ol

C4H11NO2 — CID 3018672

IUPAC1-(hydroxymethylamino)propan-2-ol
SMILESCC(O)CNCO
InChIInChI=1S/C4H11NO2/c1-4(7)2-5-3-6/h4-7H,2-3H2,1H3
InChIKeyQUFZJIHSEXWUQN-UHFFFAOYSA-N
MW105.14 g/mol
LogP-1.09
Rot. Bonds3

About 1-(hydroxymethylamino)propan-2-ol

1-(hydroxymethylamino)propan-2-ol (PubChem CID 3018672) has the molecular formula C4H11NO2 and a molecular weight of 105.14 g/mol. Its IUPAC name is 1-(hydroxymethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(hydroxymethylamino)propan-2-ol
PubChem CID3018672
Molecular FormulaC4H11NO2
Molecular Weight105.14 g/mol
Exact Mass105.08
IUPAC Name1-(hydroxymethylamino)propan-2-ol
SMILESCC(O)CNCO
InChIInChI=1S/C4H11NO2/c1-4(7)2-5-3-6/h4-7H,2-3H2,1H3
InChIKeyQUFZJIHSEXWUQN-UHFFFAOYSA-N
XLogP-1.09
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxypropylamino)propan-2-ol;zinc
CID 175137712
1-(2-hydroxypropylamino)propan-2-ol;methane
CID 161456696
2-[bis(2-hydroxyethyl)amino]ethanol;1-(2-hydroxypropylamino)propan-2-ol
CID 22218619
(2R)-1-(2-methylpropylamino)propan-2-ol
CID 777887
1-(2-hydroxyethylamino)propan-2-ol;propane
CID 145289862
2-hydroxy-3-[[(2R)-2-hydroxypropyl]amino]propanamide
CID 106174936
N-hydroxy-2-(2-hydroxypropylamino)acetamide
CID 142100619
(2R)-1-[2-(methylamino)ethylamino]propan-2-ol
CID 143132001
1-(2,2-dimethylpropylamino)propan-2-ol
CID 21304828
2-(2-hydroxypropylamino)-N,N-dimethylacetamide
CID 43392843
3-[[[(2R)-2-hydroxypropyl]amino]methyl]pentan-1-ol
CID 106932322
1-[2-(propan-2-ylamino)ethylamino]propan-2-ol
CID 104594507

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethylamino)propan-2-ol?
The IUPAC name of 1-(hydroxymethylamino)propan-2-ol (CID 3018672) is 1-(hydroxymethylamino)propan-2-ol.
What is the SMILES notation for 1-(hydroxymethylamino)propan-2-ol?
The canonical SMILES for 1-(hydroxymethylamino)propan-2-ol is CC(O)CNCO.
What is the InChIKey of 1-(hydroxymethylamino)propan-2-ol?
The InChIKey is QUFZJIHSEXWUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2/c1-4(7)2-5-3-6/h4-7H,2-3H2,1H3.
What are the key properties of 1-(hydroxymethylamino)propan-2-ol?
1-(hydroxymethylamino)propan-2-ol has a molecular weight of 105.14 g/mol, XLogP of -1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethylamino)propan-2-ol is sourced from PubChem (CID 3018672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).