2-[2-[2-[(E)-but-2-enoxy]ethylamino]ethylamino]ethanol

C10H22N2O2 — CID 22094679

IUPAC2-[2-[2-[(E)-but-2-enoxy]ethylamino]ethylamino]ethanol
SMILESC/C=C/COCCNCCNCCO
InChIInChI=1S/C10H22N2O2/c1-2-3-9-14-10-7-12-5-4-11-6-8-13/h2-3,11-13H,4-10H2,1H3/b3-2+
InChIKeyYWPQNTWOQUBMSM-NSCUHMNNSA-N
MW202.30 g/mol
LogP-0.25
Rot. Bonds10

About 2-[2-[2-[(E)-but-2-enoxy]ethylamino]ethylamino]ethanol

2-[2-[2-[(E)-but-2-enoxy]ethylamino]ethylamino]ethanol (PubChem CID 22094679) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-[2-[2-[(E)-but-2-enoxy]ethylamino]ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-[2-[(E)-but-2-enoxy]ethylamino]ethylamino]ethanol
PubChem CID22094679
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name2-[2-[2-[(E)-but-2-enoxy]ethylamino]ethylamino]ethanol
SMILESC/C=C/COCCNCCNCCO
InChIInChI=1S/C10H22N2O2/c1-2-3-9-14-10-7-12-5-4-11-6-8-13/h2-3,11-13H,4-10H2,1H3/b3-2+
InChIKeyYWPQNTWOQUBMSM-NSCUHMNNSA-N
XLogP-0.25
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(E)-but-2-enoxy]ethylamino]ethylamino]ethanol?
The IUPAC name of 2-[2-[2-[(E)-but-2-enoxy]ethylamino]ethylamino]ethanol (CID 22094679) is 2-[2-[2-[(E)-but-2-enoxy]ethylamino]ethylamino]ethanol.
What is the SMILES notation for 2-[2-[2-[(E)-but-2-enoxy]ethylamino]ethylamino]ethanol?
The canonical SMILES for 2-[2-[2-[(E)-but-2-enoxy]ethylamino]ethylamino]ethanol is C/C=C/COCCNCCNCCO.
What is the InChIKey of 2-[2-[2-[(E)-but-2-enoxy]ethylamino]ethylamino]ethanol?
The InChIKey is YWPQNTWOQUBMSM-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-2-3-9-14-10-7-12-5-4-11-6-8-13/h2-3,11-13H,4-10H2,1H3/b3-2+.
What are the key properties of 2-[2-[2-[(E)-but-2-enoxy]ethylamino]ethylamino]ethanol?
2-[2-[2-[(E)-but-2-enoxy]ethylamino]ethylamino]ethanol has a molecular weight of 202.30 g/mol, XLogP of -0.25, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(E)-but-2-enoxy]ethylamino]ethylamino]ethanol is sourced from PubChem (CID 22094679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).