1-[3-[bis(prop-2-enyl)amino]propylamino]ethanol

C11H22N2O — CID 88782265

IUPAC1-[3-[bis(prop-2-enyl)amino]propylamino]ethanol
SMILESC=CCN(CC=C)CCCNC(C)O
InChIInChI=1S/C11H22N2O/c1-4-8-13(9-5-2)10-6-7-12-11(3)14/h4-5,11-12,14H,1-2,6-10H2,3H3
InChIKeyQUSJHZSHDWMDLS-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.98
Rot. Bonds9

About 1-[3-[bis(prop-2-enyl)amino]propylamino]ethanol

1-[3-[bis(prop-2-enyl)amino]propylamino]ethanol (PubChem CID 88782265) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[3-[bis(prop-2-enyl)amino]propylamino]ethanol.

Molecular Properties

Compound Name1-[3-[bis(prop-2-enyl)amino]propylamino]ethanol
PubChem CID88782265
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-[3-[bis(prop-2-enyl)amino]propylamino]ethanol
SMILESC=CCN(CC=C)CCCNC(C)O
InChIInChI=1S/C11H22N2O/c1-4-8-13(9-5-2)10-6-7-12-11(3)14/h4-5,11-12,14H,1-2,6-10H2,3H3
InChIKeyQUSJHZSHDWMDLS-UHFFFAOYSA-N
XLogP0.98
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 1-[3-[bis(prop-2-enyl)amino]propylamino]ethanol?
The IUPAC name of 1-[3-[bis(prop-2-enyl)amino]propylamino]ethanol (CID 88782265) is 1-[3-[bis(prop-2-enyl)amino]propylamino]ethanol.
What is the SMILES notation for 1-[3-[bis(prop-2-enyl)amino]propylamino]ethanol?
The canonical SMILES for 1-[3-[bis(prop-2-enyl)amino]propylamino]ethanol is C=CCN(CC=C)CCCNC(C)O.
What is the InChIKey of 1-[3-[bis(prop-2-enyl)amino]propylamino]ethanol?
The InChIKey is QUSJHZSHDWMDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-8-13(9-5-2)10-6-7-12-11(3)14/h4-5,11-12,14H,1-2,6-10H2,3H3.
What are the key properties of 1-[3-[bis(prop-2-enyl)amino]propylamino]ethanol?
1-[3-[bis(prop-2-enyl)amino]propylamino]ethanol has a molecular weight of 198.31 g/mol, XLogP of 0.98, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[bis(prop-2-enyl)amino]propylamino]ethanol is sourced from PubChem (CID 88782265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).