2-[2-(azetidin-3-yl)ethyl-prop-2-enylamino]ethanol

C10H20N2O — CID 116680440

IUPAC2-[2-(azetidin-3-yl)ethyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)CCC1CNC1
InChIInChI=1S/C10H20N2O/c1-2-4-12(6-7-13)5-3-10-8-11-9-10/h2,10-11,13H,1,3-9H2
InChIKeyAQRFCDAWGCTAFO-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.08
Rot. Bonds7

About 2-[2-(azetidin-3-yl)ethyl-prop-2-enylamino]ethanol

2-[2-(azetidin-3-yl)ethyl-prop-2-enylamino]ethanol (PubChem CID 116680440) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-[2-(azetidin-3-yl)ethyl-prop-2-enylamino]ethanol.

Molecular Properties

Compound Name2-[2-(azetidin-3-yl)ethyl-prop-2-enylamino]ethanol
PubChem CID116680440
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-[2-(azetidin-3-yl)ethyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)CCC1CNC1
InChIInChI=1S/C10H20N2O/c1-2-4-12(6-7-13)5-3-10-8-11-9-10/h2,10-11,13H,1,3-9H2
InChIKeyAQRFCDAWGCTAFO-UHFFFAOYSA-N
XLogP0.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(azetidin-3-yl)ethyl-prop-2-enylamino]ethanol?
The IUPAC name of 2-[2-(azetidin-3-yl)ethyl-prop-2-enylamino]ethanol (CID 116680440) is 2-[2-(azetidin-3-yl)ethyl-prop-2-enylamino]ethanol.
What is the SMILES notation for 2-[2-(azetidin-3-yl)ethyl-prop-2-enylamino]ethanol?
The canonical SMILES for 2-[2-(azetidin-3-yl)ethyl-prop-2-enylamino]ethanol is C=CCN(CCO)CCC1CNC1.
What is the InChIKey of 2-[2-(azetidin-3-yl)ethyl-prop-2-enylamino]ethanol?
The InChIKey is AQRFCDAWGCTAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-2-4-12(6-7-13)5-3-10-8-11-9-10/h2,10-11,13H,1,3-9H2.
What are the key properties of 2-[2-(azetidin-3-yl)ethyl-prop-2-enylamino]ethanol?
2-[2-(azetidin-3-yl)ethyl-prop-2-enylamino]ethanol has a molecular weight of 184.28 g/mol, XLogP of 0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(azetidin-3-yl)ethyl-prop-2-enylamino]ethanol is sourced from PubChem (CID 116680440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).