1-(2-hydroxyethylamino)propan-2-ol;propane

C8H21NO2 — CID 145289862

IUPAC1-(2-hydroxyethylamino)propan-2-ol;propane
SMILESCC(O)CNCCO.CCC
InChIInChI=1S/C5H13NO2.C3H8/c1-5(8)4-6-2-3-7;1-3-2/h5-8H,2-4H2,1H3;3H2,1-2H3
InChIKeyQRPDJIZKEGZQSE-UHFFFAOYSA-N
MW163.26 g/mol
LogP0.37
Rot. Bonds4

About 1-(2-hydroxyethylamino)propan-2-ol;propane

1-(2-hydroxyethylamino)propan-2-ol;propane (PubChem CID 145289862) has the molecular formula C8H21NO2 and a molecular weight of 163.26 g/mol. Its IUPAC name is 1-(2-hydroxyethylamino)propan-2-ol;propane.

Molecular Properties

Compound Name1-(2-hydroxyethylamino)propan-2-ol;propane
PubChem CID145289862
Molecular FormulaC8H21NO2
Molecular Weight163.26 g/mol
Exact Mass163.16
IUPAC Name1-(2-hydroxyethylamino)propan-2-ol;propane
SMILESCC(O)CNCCO.CCC
InChIInChI=1S/C5H13NO2.C3H8/c1-5(8)4-6-2-3-7;1-3-2/h5-8H,2-4H2,1H3;3H2,1-2H3
InChIKeyQRPDJIZKEGZQSE-UHFFFAOYSA-N
XLogP0.37
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2R)-2-methylbutyl]amino]ethanol
CID 24884413
2-(2-hydroxyethylamino)ethanol;propane
CID 142274456
1-(pentylamino)propan-2-ol
CID 3016247
1-(hydroxymethylamino)propan-2-ol
CID 3018672
(2R)-1-[2-(methylamino)ethylamino]propan-2-ol
CID 143132001
1-(2-hydroxypropylamino)propan-2-ol;methane
CID 161456696
1-(2-hydroxypropylamino)propan-2-ol;zinc
CID 175137712
1-[[(2R)-2-hydroxypropyl]amino]pentan-3-ol
CID 106932604
(2S)-1-(hexadecylamino)propan-2-ol
CID 96570879
1-(pentylamino)propan-2-ol;hydrate
CID 173220039
1-[2-(propan-2-ylamino)ethylamino]propan-2-ol
CID 104594507
5-[[(2R)-2-hydroxypropyl]amino]pentan-2-ol
CID 106131822

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethylamino)propan-2-ol;propane?
The IUPAC name of 1-(2-hydroxyethylamino)propan-2-ol;propane (CID 145289862) is 1-(2-hydroxyethylamino)propan-2-ol;propane.
What is the SMILES notation for 1-(2-hydroxyethylamino)propan-2-ol;propane?
The canonical SMILES for 1-(2-hydroxyethylamino)propan-2-ol;propane is CC(O)CNCCO.CCC.
What is the InChIKey of 1-(2-hydroxyethylamino)propan-2-ol;propane?
The InChIKey is QRPDJIZKEGZQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2.C3H8/c1-5(8)4-6-2-3-7;1-3-2/h5-8H,2-4H2,1H3;3H2,1-2H3.
What are the key properties of 1-(2-hydroxyethylamino)propan-2-ol;propane?
1-(2-hydroxyethylamino)propan-2-ol;propane has a molecular weight of 163.26 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethylamino)propan-2-ol;propane is sourced from PubChem (CID 145289862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).