1-[2-[2-[2-[2-hydroxybut-3-enyl(2-hydroxypropyl)amino]ethoxy]ethoxy]ethylamino]-3,3-dimethylbutan-2-ol

C19H40N2O5 — CID 91036586

IUPAC1-[2-[2-[2-[2-hydroxybut-3-enyl(2-hydroxypropyl)amino]ethoxy]ethoxy]ethylamino]-3,3-dimethylbutan-2-ol
SMILESC=CC(O)CN(CCOCCOCCNCC(O)C(C)(C)C)CC(C)O
InChIInChI=1S/C19H40N2O5/c1-6-17(23)15-21(14-16(2)22)8-10-26-12-11-25-9-7-20-13-18(24)19(3,4)5/h6,16-18,20,22-24H,1,7-15H2,2-5H3
InChIKeyVIUDZYHWOWBUJY-UHFFFAOYSA-N
MW376.54 g/mol
LogP0.25
Rot. Bonds16

About 1-[2-[2-[2-[2-hydroxybut-3-enyl(2-hydroxypropyl)amino]ethoxy]ethoxy]ethylamino]-3,3-dimethylbutan-2-ol

1-[2-[2-[2-[2-hydroxybut-3-enyl(2-hydroxypropyl)amino]ethoxy]ethoxy]ethylamino]-3,3-dimethylbutan-2-ol (PubChem CID 91036586) has the molecular formula C19H40N2O5 and a molecular weight of 376.54 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-hydroxybut-3-enyl(2-hydroxypropyl)amino]ethoxy]ethoxy]ethylamino]-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[2-[2-[2-[2-hydroxybut-3-enyl(2-hydroxypropyl)amino]ethoxy]ethoxy]ethylamino]-3,3-dimethylbutan-2-ol
PubChem CID91036586
Molecular FormulaC19H40N2O5
Molecular Weight376.54 g/mol
Exact Mass376.29
IUPAC Name1-[2-[2-[2-[2-hydroxybut-3-enyl(2-hydroxypropyl)amino]ethoxy]ethoxy]ethylamino]-3,3-dimethylbutan-2-ol
SMILESC=CC(O)CN(CCOCCOCCNCC(O)C(C)(C)C)CC(C)O
InChIInChI=1S/C19H40N2O5/c1-6-17(23)15-21(14-16(2)22)8-10-26-12-11-25-9-7-20-13-18(24)19(3,4)5/h6,16-18,20,22-24H,1,7-15H2,2-5H3
InChIKeyVIUDZYHWOWBUJY-UHFFFAOYSA-N
XLogP0.25
TPSA94.42 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 50.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[2-[2-[2-[2-hydroxybut-3-enyl(2-hydroxypropyl)amino]ethoxy]ethoxy]ethylamino]-3,3-dimethylbutan-2-ol 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

1-[2-[2-(2-Hydroxybut-3-enylamino)ethoxy]ethoxymethylamino]butan-2-ol
CID 88999729
1-[2-[2-(2-Aminoethoxy)ethoxy]ethyl-(2-hydroxypropyl)amino]but-3-en-2-ol
CID 90943339
1-[2-[2-[2-(2-Hydroxybut-3-enylamino)ethoxy]ethoxy]ethylamino]butan-2-ol
CID 91024660

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-hydroxybut-3-enyl(2-hydroxypropyl)amino]ethoxy]ethoxy]ethylamino]-3,3-dimethylbutan-2-ol?
The IUPAC name of 1-[2-[2-[2-[2-hydroxybut-3-enyl(2-hydroxypropyl)amino]ethoxy]ethoxy]ethylamino]-3,3-dimethylbutan-2-ol (CID 91036586) is 1-[2-[2-[2-[2-hydroxybut-3-enyl(2-hydroxypropyl)amino]ethoxy]ethoxy]ethylamino]-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[2-[2-[2-[2-hydroxybut-3-enyl(2-hydroxypropyl)amino]ethoxy]ethoxy]ethylamino]-3,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[2-[2-[2-[2-hydroxybut-3-enyl(2-hydroxypropyl)amino]ethoxy]ethoxy]ethylamino]-3,3-dimethylbutan-2-ol is C=CC(O)CN(CCOCCOCCNCC(O)C(C)(C)C)CC(C)O.
What is the InChIKey of 1-[2-[2-[2-[2-hydroxybut-3-enyl(2-hydroxypropyl)amino]ethoxy]ethoxy]ethylamino]-3,3-dimethylbutan-2-ol?
The InChIKey is VIUDZYHWOWBUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2O5/c1-6-17(23)15-21(14-16(2)22)8-10-26-12-11-25-9-7-20-13-18(24)19(3,4)5/h6,16-18,20,22-24H,1,7-15H2,2-5H3.
What are the key properties of 1-[2-[2-[2-[2-hydroxybut-3-enyl(2-hydroxypropyl)amino]ethoxy]ethoxy]ethylamino]-3,3-dimethylbutan-2-ol?
1-[2-[2-[2-[2-hydroxybut-3-enyl(2-hydroxypropyl)amino]ethoxy]ethoxy]ethylamino]-3,3-dimethylbutan-2-ol has a molecular weight of 376.54 g/mol, XLogP of 0.25, 16 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-hydroxybut-3-enyl(2-hydroxypropyl)amino]ethoxy]ethoxy]ethylamino]-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 91036586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).