4-[(3-ethoxy-2-hydroxypropyl)amino]butan-1-ol

C9H21NO3 — CID 106841631

IUPAC4-[(3-ethoxy-2-hydroxypropyl)amino]butan-1-ol
SMILESCCOCC(O)CNCCCCO
InChIInChI=1S/C9H21NO3/c1-2-13-8-9(12)7-10-5-3-4-6-11/h9-12H,2-8H2,1H3
InChIKeyMETPNNLNTUYHNL-UHFFFAOYSA-N
MW191.27 g/mol
LogP-0.25
Rot. Bonds9

About 4-[(3-ethoxy-2-hydroxypropyl)amino]butan-1-ol

4-[(3-ethoxy-2-hydroxypropyl)amino]butan-1-ol (PubChem CID 106841631) has the molecular formula C9H21NO3 and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-[(3-ethoxy-2-hydroxypropyl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[(3-ethoxy-2-hydroxypropyl)amino]butan-1-ol
PubChem CID106841631
Molecular FormulaC9H21NO3
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC Name4-[(3-ethoxy-2-hydroxypropyl)amino]butan-1-ol
SMILESCCOCC(O)CNCCCCO
InChIInChI=1S/C9H21NO3/c1-2-13-8-9(12)7-10-5-3-4-6-11/h9-12H,2-8H2,1H3
InChIKeyMETPNNLNTUYHNL-UHFFFAOYSA-N
XLogP-0.25
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-butoxy-2-hydroxypropyl)amino]butan-1-ol
CID 107263164
1-ethoxy-3-(5-methylhexylamino)propan-2-ol
CID 115325282
1-ethoxy-3-(4-methoxybutylamino)propan-2-ol
CID 63933667
5-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]pentan-1-ol
CID 107317305
1-ethoxy-3-(propylamino)propan-2-ol
CID 15683481
1-ethoxy-3-(4-methylpentylamino)propan-2-ol
CID 63933585
1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol
CID 139812156
1-(2-ethoxyethoxy)-3-(pentylamino)propan-2-ol
CID 60632874
1-(3-hydroxypropylamino)-3-octoxypropan-2-ol
CID 60634002
5-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]pentan-1-ol
CID 107317289
5-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol
CID 114151870
1-(2-aminoethylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 62141108

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethoxy-2-hydroxypropyl)amino]butan-1-ol?
The IUPAC name of 4-[(3-ethoxy-2-hydroxypropyl)amino]butan-1-ol (CID 106841631) is 4-[(3-ethoxy-2-hydroxypropyl)amino]butan-1-ol.
What is the SMILES notation for 4-[(3-ethoxy-2-hydroxypropyl)amino]butan-1-ol?
The canonical SMILES for 4-[(3-ethoxy-2-hydroxypropyl)amino]butan-1-ol is CCOCC(O)CNCCCCO.
What is the InChIKey of 4-[(3-ethoxy-2-hydroxypropyl)amino]butan-1-ol?
The InChIKey is METPNNLNTUYHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3/c1-2-13-8-9(12)7-10-5-3-4-6-11/h9-12H,2-8H2,1H3.
What are the key properties of 4-[(3-ethoxy-2-hydroxypropyl)amino]butan-1-ol?
4-[(3-ethoxy-2-hydroxypropyl)amino]butan-1-ol has a molecular weight of 191.27 g/mol, XLogP of -0.25, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethoxy-2-hydroxypropyl)amino]butan-1-ol is sourced from PubChem (CID 106841631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).