1-but-2-enoxy-3-(2-hydroxyethylamino)propan-2-ol

C9H19NO3 — CID 173393097

IUPAC1-but-2-enoxy-3-(2-hydroxyethylamino)propan-2-ol
SMILESCC=CCOCC(O)CNCCO
InChIInChI=1S/C9H19NO3/c1-2-3-6-13-8-9(12)7-10-4-5-11/h2-3,9-12H,4-8H2,1H3
InChIKeySMZXXLQXPVXYKZ-UHFFFAOYSA-N
MW189.25 g/mol
LogP-0.48
Rot. Bonds8

About 1-but-2-enoxy-3-(2-hydroxyethylamino)propan-2-ol

1-but-2-enoxy-3-(2-hydroxyethylamino)propan-2-ol (PubChem CID 173393097) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 1-but-2-enoxy-3-(2-hydroxyethylamino)propan-2-ol.

Molecular Properties

Compound Name1-but-2-enoxy-3-(2-hydroxyethylamino)propan-2-ol
PubChem CID173393097
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name1-but-2-enoxy-3-(2-hydroxyethylamino)propan-2-ol
SMILESCC=CCOCC(O)CNCCO
InChIInChI=1S/C9H19NO3/c1-2-3-6-13-8-9(12)7-10-4-5-11/h2-3,9-12H,4-8H2,1H3
InChIKeySMZXXLQXPVXYKZ-UHFFFAOYSA-N
XLogP-0.48
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-ethoxy-2-hydroxypropyl)amino]butan-1-ol
CID 106841631
(2R)-1-[2-[[(2R)-2-hydroxy-3-(3-methylbutoxy)propyl]amino]ethylamino]-3-(3-methylbutoxy)propan-2-ol
CID 92759286
1-(2-hydroxyethylamino)-3-(8-methylheptadecoxy)propan-2-ol
CID 101143561
1-ethoxy-3-(propylamino)propan-2-ol
CID 15683481
5-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]pentan-1-ol
CID 107317305
4-[(3-butoxy-2-hydroxypropyl)amino]butan-1-ol
CID 107263164
ethane;1-propoxy-3-(propylamino)propan-2-ol
CID 90907979
1-(3-hydroxypropylamino)-3-octoxypropan-2-ol
CID 60634002
1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol
CID 139812156
4-but-2-enoxy-N-(2-methylpropyl)butan-1-amine
CID 76943518
1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-propoxypropan-2-ol
CID 132934310
3-[[(E)-but-2-enyl]amino]propane-1,2-diol
CID 107899064

Frequently Asked Questions

What is the IUPAC name of 1-but-2-enoxy-3-(2-hydroxyethylamino)propan-2-ol?
The IUPAC name of 1-but-2-enoxy-3-(2-hydroxyethylamino)propan-2-ol (CID 173393097) is 1-but-2-enoxy-3-(2-hydroxyethylamino)propan-2-ol.
What is the SMILES notation for 1-but-2-enoxy-3-(2-hydroxyethylamino)propan-2-ol?
The canonical SMILES for 1-but-2-enoxy-3-(2-hydroxyethylamino)propan-2-ol is CC=CCOCC(O)CNCCO.
What is the InChIKey of 1-but-2-enoxy-3-(2-hydroxyethylamino)propan-2-ol?
The InChIKey is SMZXXLQXPVXYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-2-3-6-13-8-9(12)7-10-4-5-11/h2-3,9-12H,4-8H2,1H3.
What are the key properties of 1-but-2-enoxy-3-(2-hydroxyethylamino)propan-2-ol?
1-but-2-enoxy-3-(2-hydroxyethylamino)propan-2-ol has a molecular weight of 189.25 g/mol, XLogP of -0.48, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-enoxy-3-(2-hydroxyethylamino)propan-2-ol is sourced from PubChem (CID 173393097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).