1-(3-aminopropoxy)ethenol

C5H11NO2 — CID 176659165

IUPAC1-(3-aminopropoxy)ethenol
SMILESC=C(O)OCCCN
InChIInChI=1S/C5H11NO2/c1-5(7)8-4-2-3-6/h7H,1-4,6H2
InChIKeyFDEOJVIRZPPDIX-UHFFFAOYSA-N
MW117.15 g/mol
LogP0.38
Rot. Bonds4

About 1-(3-aminopropoxy)ethenol

1-(3-aminopropoxy)ethenol (PubChem CID 176659165) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 1-(3-aminopropoxy)ethenol.

Molecular Properties

Compound Name1-(3-aminopropoxy)ethenol
PubChem CID176659165
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name1-(3-aminopropoxy)ethenol
SMILESC=C(O)OCCCN
InChIInChI=1S/C5H11NO2/c1-5(7)8-4-2-3-6/h7H,1-4,6H2
InChIKeyFDEOJVIRZPPDIX-UHFFFAOYSA-N
XLogP0.38
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[1-(methylamino)ethenoxy]propan-1-amine
CID 126663440
3-hydroperoxypropan-1-amine
CID 90707028
bis(3-aminopropyl) hexadecanedioate
CID 100956713
6-aminohexyl hydrogen carbonate;hydrochloride
CID 171616811
3-aminopropyl 2-methylpropanoate
CID 59078098
4-aminobutyl 6-amino-2-methylidenehexanoate
CID 57271260
3-(dihydroxyamino)oxypropan-1-amine
CID 88939530
dodec-11-ene-1,11-diamine
CID 88786698
3-[3-[2-(3-aminopropoxy)ethoxy]propoxy]propan-1-amine
CID 118897120
3-methoxypropan-1-amine
CID 123566454
3-(3-aminopropoxy)propan-1-amine;ethane
CID 23031033
3-aminopropyl propanoate;hydrochloride
CID 91621397

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropoxy)ethenol?
The IUPAC name of 1-(3-aminopropoxy)ethenol (CID 176659165) is 1-(3-aminopropoxy)ethenol.
What is the SMILES notation for 1-(3-aminopropoxy)ethenol?
The canonical SMILES for 1-(3-aminopropoxy)ethenol is C=C(O)OCCCN.
What is the InChIKey of 1-(3-aminopropoxy)ethenol?
The InChIKey is FDEOJVIRZPPDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-5(7)8-4-2-3-6/h7H,1-4,6H2.
What are the key properties of 1-(3-aminopropoxy)ethenol?
1-(3-aminopropoxy)ethenol has a molecular weight of 117.15 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropoxy)ethenol is sourced from PubChem (CID 176659165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).