2-[3-[bis(prop-2-enyl)amino]propylamino]ethanol

C11H22N2O — CID 54201266

IUPAC2-[3-[bis(prop-2-enyl)amino]propylamino]ethanol
SMILESC=CCN(CC=C)CCCNCCO
InChIInChI=1S/C11H22N2O/c1-3-8-13(9-4-2)10-5-6-12-7-11-14/h3-4,12,14H,1-2,5-11H2
InChIKeyPPKOUPYWLIUOSA-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.63
Rot. Bonds10

About 2-[3-[bis(prop-2-enyl)amino]propylamino]ethanol

2-[3-[bis(prop-2-enyl)amino]propylamino]ethanol (PubChem CID 54201266) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[3-[bis(prop-2-enyl)amino]propylamino]ethanol.

Molecular Properties

Compound Name2-[3-[bis(prop-2-enyl)amino]propylamino]ethanol
PubChem CID54201266
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-[3-[bis(prop-2-enyl)amino]propylamino]ethanol
SMILESC=CCN(CC=C)CCCNCCO
InChIInChI=1S/C11H22N2O/c1-3-8-13(9-4-2)10-5-6-12-7-11-14/h3-4,12,14H,1-2,5-11H2
InChIKeyPPKOUPYWLIUOSA-UHFFFAOYSA-N
XLogP0.63
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[3-[bis(prop-2-enyl)amino]propylamino]ethanol?
The IUPAC name of 2-[3-[bis(prop-2-enyl)amino]propylamino]ethanol (CID 54201266) is 2-[3-[bis(prop-2-enyl)amino]propylamino]ethanol.
What is the SMILES notation for 2-[3-[bis(prop-2-enyl)amino]propylamino]ethanol?
The canonical SMILES for 2-[3-[bis(prop-2-enyl)amino]propylamino]ethanol is C=CCN(CC=C)CCCNCCO.
What is the InChIKey of 2-[3-[bis(prop-2-enyl)amino]propylamino]ethanol?
The InChIKey is PPKOUPYWLIUOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-8-13(9-4-2)10-5-6-12-7-11-14/h3-4,12,14H,1-2,5-11H2.
What are the key properties of 2-[3-[bis(prop-2-enyl)amino]propylamino]ethanol?
2-[3-[bis(prop-2-enyl)amino]propylamino]ethanol has a molecular weight of 198.31 g/mol, XLogP of 0.63, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[bis(prop-2-enyl)amino]propylamino]ethanol is sourced from PubChem (CID 54201266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).