2-[1-[bis(prop-2-enyl)amino]prop-2-enyl-(2-hydroxyethyl)amino]ethanol

C13H24N2O2 — CID 88675384

IUPAC2-[1-[bis(prop-2-enyl)amino]prop-2-enyl-(2-hydroxyethyl)amino]ethanol
SMILESC=CCN(CC=C)C(C=C)N(CCO)CCO
InChIInChI=1S/C13H24N2O2/c1-4-7-14(8-5-2)13(6-3)15(9-11-16)10-12-17/h4-6,13,16-17H,1-3,7-12H2
InChIKeyRCZNUAYDXPQHLL-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.46
Rot. Bonds11

About 2-[1-[bis(prop-2-enyl)amino]prop-2-enyl-(2-hydroxyethyl)amino]ethanol

2-[1-[bis(prop-2-enyl)amino]prop-2-enyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 88675384) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[1-[bis(prop-2-enyl)amino]prop-2-enyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[1-[bis(prop-2-enyl)amino]prop-2-enyl-(2-hydroxyethyl)amino]ethanol
PubChem CID88675384
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-[1-[bis(prop-2-enyl)amino]prop-2-enyl-(2-hydroxyethyl)amino]ethanol
SMILESC=CCN(CC=C)C(C=C)N(CCO)CCO
InChIInChI=1S/C13H24N2O2/c1-4-7-14(8-5-2)13(6-3)15(9-11-16)10-12-17/h4-6,13,16-17H,1-3,7-12H2
InChIKeyRCZNUAYDXPQHLL-UHFFFAOYSA-N
XLogP0.46
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[bis(prop-2-enyl)amino]prop-2-enyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[1-[bis(prop-2-enyl)amino]prop-2-enyl-(2-hydroxyethyl)amino]ethanol (CID 88675384) is 2-[1-[bis(prop-2-enyl)amino]prop-2-enyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[1-[bis(prop-2-enyl)amino]prop-2-enyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[1-[bis(prop-2-enyl)amino]prop-2-enyl-(2-hydroxyethyl)amino]ethanol is C=CCN(CC=C)C(C=C)N(CCO)CCO.
What is the InChIKey of 2-[1-[bis(prop-2-enyl)amino]prop-2-enyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is RCZNUAYDXPQHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-7-14(8-5-2)13(6-3)15(9-11-16)10-12-17/h4-6,13,16-17H,1-3,7-12H2.
What are the key properties of 2-[1-[bis(prop-2-enyl)amino]prop-2-enyl-(2-hydroxyethyl)amino]ethanol?
2-[1-[bis(prop-2-enyl)amino]prop-2-enyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 240.35 g/mol, XLogP of 0.46, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[bis(prop-2-enyl)amino]prop-2-enyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 88675384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).