1-[1-[bis(2-hydroxypropyl)amino]prop-2-enyl-(2-hydroxypropyl)amino]propan-2-ol

C15H32N2O4 — CID 87774760

IUPAC1-[1-[bis(2-hydroxypropyl)amino]prop-2-enyl-(2-hydroxypropyl)amino]propan-2-ol
SMILESC=CC(N(CC(C)O)CC(C)O)N(CC(C)O)CC(C)O
InChIInChI=1S/C15H32N2O4/c1-6-15(16(7-11(2)18)8-12(3)19)17(9-13(4)20)10-14(5)21/h6,11-15,18-21H,1,7-10H2,2-5H3
InChIKeyIRGCKNQVGMLFHE-UHFFFAOYSA-N
MW304.43 g/mol
LogP-0.37
Rot. Bonds11

About 1-[1-[bis(2-hydroxypropyl)amino]prop-2-enyl-(2-hydroxypropyl)amino]propan-2-ol

1-[1-[bis(2-hydroxypropyl)amino]prop-2-enyl-(2-hydroxypropyl)amino]propan-2-ol (PubChem CID 87774760) has the molecular formula C15H32N2O4 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-[1-[bis(2-hydroxypropyl)amino]prop-2-enyl-(2-hydroxypropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[1-[bis(2-hydroxypropyl)amino]prop-2-enyl-(2-hydroxypropyl)amino]propan-2-ol
PubChem CID87774760
Molecular FormulaC15H32N2O4
Molecular Weight304.43 g/mol
Exact Mass304.24
IUPAC Name1-[1-[bis(2-hydroxypropyl)amino]prop-2-enyl-(2-hydroxypropyl)amino]propan-2-ol
SMILESC=CC(N(CC(C)O)CC(C)O)N(CC(C)O)CC(C)O
InChIInChI=1S/C15H32N2O4/c1-6-15(16(7-11(2)18)8-12(3)19)17(9-13(4)20)10-14(5)21/h6,11-15,18-21H,1,7-10H2,2-5H3
InChIKeyIRGCKNQVGMLFHE-UHFFFAOYSA-N
XLogP-0.37
TPSA87.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 5-0.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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 1-[1-[bis(2-hydroxypropyl)amino]prop-2-enyl-(2-hydroxypropyl)amino]propan-2-ol?
The IUPAC name of 1-[1-[bis(2-hydroxypropyl)amino]prop-2-enyl-(2-hydroxypropyl)amino]propan-2-ol (CID 87774760) is 1-[1-[bis(2-hydroxypropyl)amino]prop-2-enyl-(2-hydroxypropyl)amino]propan-2-ol.
What is the SMILES notation for 1-[1-[bis(2-hydroxypropyl)amino]prop-2-enyl-(2-hydroxypropyl)amino]propan-2-ol?
The canonical SMILES for 1-[1-[bis(2-hydroxypropyl)amino]prop-2-enyl-(2-hydroxypropyl)amino]propan-2-ol is C=CC(N(CC(C)O)CC(C)O)N(CC(C)O)CC(C)O.
What is the InChIKey of 1-[1-[bis(2-hydroxypropyl)amino]prop-2-enyl-(2-hydroxypropyl)amino]propan-2-ol?
The InChIKey is IRGCKNQVGMLFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O4/c1-6-15(16(7-11(2)18)8-12(3)19)17(9-13(4)20)10-14(5)21/h6,11-15,18-21H,1,7-10H2,2-5H3.
What are the key properties of 1-[1-[bis(2-hydroxypropyl)amino]prop-2-enyl-(2-hydroxypropyl)amino]propan-2-ol?
1-[1-[bis(2-hydroxypropyl)amino]prop-2-enyl-(2-hydroxypropyl)amino]propan-2-ol has a molecular weight of 304.43 g/mol, XLogP of -0.37, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[bis(2-hydroxypropyl)amino]prop-2-enyl-(2-hydroxypropyl)amino]propan-2-ol is sourced from PubChem (CID 87774760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).