1-(2-hydroxypropylamino)propan-2-ol;zinc

C6H15NO2Zn — CID 175137712

IUPAC1-(2-hydroxypropylamino)propan-2-ol;zinc
SMILESCC(O)CNCC(C)O.[Zn]
InChIInChI=1S/C6H15NO2.Zn/c1-5(8)3-7-4-6(2)9;/h5-9H,3-4H2,1-2H3;
InChIKeyDVBDUOWWELSMJZ-UHFFFAOYSA-N
MW198.58 g/mol
LogP-0.66
Rot. Bonds4

About 1-(2-hydroxypropylamino)propan-2-ol;zinc

1-(2-hydroxypropylamino)propan-2-ol;zinc (PubChem CID 175137712) has the molecular formula C6H15NO2Zn and a molecular weight of 198.58 g/mol. Its IUPAC name is 1-(2-hydroxypropylamino)propan-2-ol;zinc.

Molecular Properties

Compound Name1-(2-hydroxypropylamino)propan-2-ol;zinc
PubChem CID175137712
Molecular FormulaC6H15NO2Zn
Molecular Weight198.58 g/mol
Exact Mass197.04
IUPAC Name1-(2-hydroxypropylamino)propan-2-ol;zinc
SMILESCC(O)CNCC(C)O.[Zn]
InChIInChI=1S/C6H15NO2.Zn/c1-5(8)3-7-4-6(2)9;/h5-9H,3-4H2,1-2H3;
InChIKeyDVBDUOWWELSMJZ-UHFFFAOYSA-N
XLogP-0.66
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.58
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxypropylamino)propan-2-ol;methane
CID 161456696
(2R)-1-(2-methylpropylamino)propan-2-ol
CID 777887
1-(hydroxymethylamino)propan-2-ol
CID 3018672
1-[(3-amino-2-methylpropyl)amino]propan-2-ol
CID 130604418
2-[bis(2-hydroxyethyl)amino]ethanol;1-(2-hydroxypropylamino)propan-2-ol
CID 22218619
2-hydroxy-3-[[(2R)-2-hydroxypropyl]amino]propanamide
CID 106174936
3-(2-hydroxypropylamino)-2-methylpropanamide
CID 43499862
1-(2,2-dimethylpropylamino)propan-2-ol
CID 21304828
(2R)-1-[2-(methylamino)ethylamino]propan-2-ol
CID 143132001
butan-2-ol;1-(2-hydroxypropylamino)-4-methylpentan-2-ol
CID 158990832
3-[[[(2R)-2-hydroxypropyl]amino]methyl]pentan-1-ol
CID 106932322
1-(2-hydroxyethylamino)propan-2-ol;propane
CID 145289862

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropylamino)propan-2-ol;zinc?
The IUPAC name of 1-(2-hydroxypropylamino)propan-2-ol;zinc (CID 175137712) is 1-(2-hydroxypropylamino)propan-2-ol;zinc.
What is the SMILES notation for 1-(2-hydroxypropylamino)propan-2-ol;zinc?
The canonical SMILES for 1-(2-hydroxypropylamino)propan-2-ol;zinc is CC(O)CNCC(C)O.[Zn].
What is the InChIKey of 1-(2-hydroxypropylamino)propan-2-ol;zinc?
The InChIKey is DVBDUOWWELSMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2.Zn/c1-5(8)3-7-4-6(2)9;/h5-9H,3-4H2,1-2H3;.
What are the key properties of 1-(2-hydroxypropylamino)propan-2-ol;zinc?
1-(2-hydroxypropylamino)propan-2-ol;zinc has a molecular weight of 198.58 g/mol, XLogP of -0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropylamino)propan-2-ol;zinc is sourced from PubChem (CID 175137712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).