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

C13H24N2O2 — CID 173444050

IUPAC1-[1-[bis(prop-2-enyl)amino]prop-1-enyl-(1-hydroxyethyl)amino]ethanol
SMILESC=CCN(CC=C)C(=CC)N(C(C)O)C(C)O
InChIInChI=1S/C13H24N2O2/c1-6-9-14(10-7-2)13(8-3)15(11(4)16)12(5)17/h6-8,11-12,16-17H,1-2,9-10H2,3-5H3
InChIKeyQQGINCGUUXOCQB-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.50
Rot. Bonds8

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

1-[1-[bis(prop-2-enyl)amino]prop-1-enyl-(1-hydroxyethyl)amino]ethanol (PubChem CID 173444050) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[1-[bis(prop-2-enyl)amino]prop-1-enyl-(1-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name1-[1-[bis(prop-2-enyl)amino]prop-1-enyl-(1-hydroxyethyl)amino]ethanol
PubChem CID173444050
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-[1-[bis(prop-2-enyl)amino]prop-1-enyl-(1-hydroxyethyl)amino]ethanol
SMILESC=CCN(CC=C)C(=CC)N(C(C)O)C(C)O
InChIInChI=1S/C13H24N2O2/c1-6-9-14(10-7-2)13(8-3)15(11(4)16)12(5)17/h6-8,11-12,16-17H,1-2,9-10H2,3-5H3
InChIKeyQQGINCGUUXOCQB-UHFFFAOYSA-N
XLogP1.50
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.50
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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[Bis(2-hydroxyethyl)amino]prop-1-enyl-(2-hydroxyethyl)amino]ethanol
CID 87556561
1,1-Bis[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol
CID 87802517
1-[1-[Bis(prop-2-enyl)amino]propyl-methylamino]prop-2-en-1-ol
CID 87843665
1-[1-[Bis(prop-2-enyl)amino]ethyl-methylamino]ethanol
CID 87932033
2-[1-[Bis(prop-2-enyl)amino]prop-2-enyl-(2-hydroxyethyl)amino]ethanol
CID 88675384
2-(1,3-Dimethyl-2,4-dihydropyrimidin-2-yl)ethanol
CID 146425268
2-(2,3-Dimethyl-2,4-dihydropyrimidin-1-yl)ethanol
CID 151996678
2-[1-(Dimethylamino)prop-1-enyl-(2-hydroxyethyl)amino]ethanol
CID 154429578
1-(2,3-Dimethyl-2,4-dihydropyrimidin-1-yl)ethanol
CID 156562683
2-[1-(Diethylamino)prop-1-enyl-(2-hydroxyethyl)amino]ethanol
CID 173034807
1-[1-(Dimethylamino)prop-1-enyl-(1-hydroxyethyl)amino]ethanol
CID 173439515
1-[1-[Bis(prop-2-enyl)amino]prop-1-enyl-(1-hydroxypropyl)amino]propan-1-ol
CID 173444063

Frequently Asked Questions

What is the IUPAC name of 1-[1-[bis(prop-2-enyl)amino]prop-1-enyl-(1-hydroxyethyl)amino]ethanol?
The IUPAC name of 1-[1-[bis(prop-2-enyl)amino]prop-1-enyl-(1-hydroxyethyl)amino]ethanol (CID 173444050) is 1-[1-[bis(prop-2-enyl)amino]prop-1-enyl-(1-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 1-[1-[bis(prop-2-enyl)amino]prop-1-enyl-(1-hydroxyethyl)amino]ethanol?
The canonical SMILES for 1-[1-[bis(prop-2-enyl)amino]prop-1-enyl-(1-hydroxyethyl)amino]ethanol is C=CCN(CC=C)C(=CC)N(C(C)O)C(C)O.
What is the InChIKey of 1-[1-[bis(prop-2-enyl)amino]prop-1-enyl-(1-hydroxyethyl)amino]ethanol?
The InChIKey is QQGINCGUUXOCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-6-9-14(10-7-2)13(8-3)15(11(4)16)12(5)17/h6-8,11-12,16-17H,1-2,9-10H2,3-5H3.
What are the key properties of 1-[1-[bis(prop-2-enyl)amino]prop-1-enyl-(1-hydroxyethyl)amino]ethanol?
1-[1-[bis(prop-2-enyl)amino]prop-1-enyl-(1-hydroxyethyl)amino]ethanol has a molecular weight of 240.35 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[bis(prop-2-enyl)amino]prop-1-enyl-(1-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 173444050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).