(1-Ethoxypropylamino)methanol

C6H15NO2 — CID 18004312

IUPAC(1-ethoxypropylamino)methanol
SMILESCCC(NCO)OCC
InChIInChI=1S/C6H15NO2/c1-3-6(7-5-8)9-4-2/h6-8H,3-5H2,1-2H3
InChIKeyPAANYDJYKAHWEY-UHFFFAOYSA-N
MW133.19 g/mol
LogP0.50
Rot. Bonds5

About (1-Ethoxypropylamino)methanol

(1-Ethoxypropylamino)methanol (PubChem CID 18004312) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is (1-ethoxypropylamino)methanol.

Molecular Properties

Compound Name(1-Ethoxypropylamino)methanol
PubChem CID18004312
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name(1-ethoxypropylamino)methanol
SMILESCCC(NCO)OCC
InChIInChI=1S/C6H15NO2/c1-3-6(7-5-8)9-4-2/h6-8H,3-5H2,1-2H3
InChIKeyPAANYDJYKAHWEY-UHFFFAOYSA-N
XLogP0.50
TPSA41.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity59

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Methylaminopropanol
CID 18461939
N-propylaminoethanol
CID 19885411
1,1'-Azanediyldi(propan-1-ol)
CID 18183751
(3-Methoxypropylamino)methanol
CID 89050571
1-(1-Ethoxyethylamino)ethanol
CID 18004306
(1-Ethoxyethylamino)methanol
CID 18004319
3-Amino-3-[3-(methylamino)propoxy]propan-1-ol
CID 19433273
1-(1-Hydroxyethylamino)propan-1-ol
CID 19813542
N-(ethoxymethyl)propan-1-amine
CID 20600493
1-(1-Ethoxypropylamino)ethanol
CID 21324791
1-ethoxy-N-methylpropan-1-amine
CID 21503307
1-(1-Methoxyethylamino)ethanol
CID 23342128

Frequently Asked Questions

What is the IUPAC name of (1-Ethoxypropylamino)methanol?
The IUPAC name of (1-Ethoxypropylamino)methanol (CID 18004312) is (1-ethoxypropylamino)methanol.
What is the SMILES notation for (1-Ethoxypropylamino)methanol?
The canonical SMILES for (1-Ethoxypropylamino)methanol is CCC(NCO)OCC.
What is the InChIKey of (1-Ethoxypropylamino)methanol?
The InChIKey is PAANYDJYKAHWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2/c1-3-6(7-5-8)9-4-2/h6-8H,3-5H2,1-2H3.
What are the key properties of (1-Ethoxypropylamino)methanol?
(1-Ethoxypropylamino)methanol has a molecular weight of 133.19 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-Ethoxypropylamino)methanol is sourced from PubChem (CID 18004312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).