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

C6H15NO2 — CID 8086

IUPAC1-(2-hydroxypropylamino)propan-2-ol
SMILESCC(O)CNCC(C)O
InChIInChI=1S/C6H15NO2/c1-5(8)3-7-4-6(2)9/h5-9H,3-4H2,1-2H3
InChIKeyLVTYICIALWPMFW-UHFFFAOYSA-N
MW133.19 g/mol
LogP-0.66
Rot. Bonds4

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

1-(2-hydroxypropylamino)propan-2-ol (PubChem CID 8086) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is 1-(2-hydroxypropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-hydroxypropylamino)propan-2-ol
PubChem CID8086
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name1-(2-hydroxypropylamino)propan-2-ol
SMILESCC(O)CNCC(C)O
InChIInChI=1S/C6H15NO2/c1-5(8)3-7-4-6(2)9/h5-9H,3-4H2,1-2H3
InChIKeyLVTYICIALWPMFW-UHFFFAOYSA-N
XLogP-0.66
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Diethanolamine
CID 8113
2-(Ethylamino)ethanol
CID 8072
Butylethanolamine
CID 8132
3-(Methylamino)propane-1,2-diol
CID 2734122
2-[(1-Methylpropyl)amino]ethanol
CID 98429
2-(Propylamino)ethanol
CID 85382
N-(2-Hydroxypropyl)-1,2-ethanediamine
CID 101594
3-((2-Hydroxyethyl)amino)propanol
CID 3015059
1-Amino-3-(diethylamino)propan-2-ol
CID 97749
2-(Isobutylamino)ethanol
CID 28264
3-Isopropylamino-1,2-propanediol
CID 110857
1-((2-Hydroxyethyl)amino)propan-2-ol
CID 98177

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropylamino)propan-2-ol?
The IUPAC name of 1-(2-hydroxypropylamino)propan-2-ol (CID 8086) is 1-(2-hydroxypropylamino)propan-2-ol.
What is the SMILES notation for 1-(2-hydroxypropylamino)propan-2-ol?
The canonical SMILES for 1-(2-hydroxypropylamino)propan-2-ol is CC(O)CNCC(C)O.
What is the InChIKey of 1-(2-hydroxypropylamino)propan-2-ol?
The InChIKey is LVTYICIALWPMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2/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?
1-(2-hydroxypropylamino)propan-2-ol has a molecular weight of 133.19 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 is sourced from PubChem (CID 8086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).