3-amino-3-ethyl-1-[2-[2-[2-[2-hydroxy-3-(methylamino)propoxy]ethoxy]ethoxy]ethoxy]pentan-2-ol

C17H38N2O6 — CID 89316703

IUPAC3-amino-3-ethyl-1-[2-[2-[2-[2-hydroxy-3-(methylamino)propoxy]ethoxy]ethoxy]ethoxy]pentan-2-ol
SMILESCCC(N)(CC)C(O)COCCOCCOCCOCC(O)CNC
InChIInChI=1S/C17H38N2O6/c1-4-17(18,5-2)16(21)14-25-11-9-23-7-6-22-8-10-24-13-15(20)12-19-3/h15-16,19-21H,4-14,18H2,1-3H3
InChIKeyDBBGIKCANQMOIJ-UHFFFAOYSA-N
MW366.50 g/mol
LogP-0.49
Rot. Bonds18

About 3-amino-3-ethyl-1-[2-[2-[2-[2-hydroxy-3-(methylamino)propoxy]ethoxy]ethoxy]ethoxy]pentan-2-ol

3-amino-3-ethyl-1-[2-[2-[2-[2-hydroxy-3-(methylamino)propoxy]ethoxy]ethoxy]ethoxy]pentan-2-ol (PubChem CID 89316703) has the molecular formula C17H38N2O6 and a molecular weight of 366.50 g/mol. Its IUPAC name is 3-amino-3-ethyl-1-[2-[2-[2-[2-hydroxy-3-(methylamino)propoxy]ethoxy]ethoxy]ethoxy]pentan-2-ol.

Molecular Properties

Compound Name3-amino-3-ethyl-1-[2-[2-[2-[2-hydroxy-3-(methylamino)propoxy]ethoxy]ethoxy]ethoxy]pentan-2-ol
PubChem CID89316703
Molecular FormulaC17H38N2O6
Molecular Weight366.50 g/mol
Exact Mass366.27
IUPAC Name3-amino-3-ethyl-1-[2-[2-[2-[2-hydroxy-3-(methylamino)propoxy]ethoxy]ethoxy]ethoxy]pentan-2-ol
SMILESCCC(N)(CC)C(O)COCCOCCOCCOCC(O)CNC
InChIInChI=1S/C17H38N2O6/c1-4-17(18,5-2)16(21)14-25-11-9-23-7-6-22-8-10-24-13-15(20)12-19-3/h15-16,19-21H,4-14,18H2,1-3H3
InChIKeyDBBGIKCANQMOIJ-UHFFFAOYSA-N
XLogP-0.49
TPSA115.43 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 5-0.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-ethyl-1-[2-[2-[2-[2-hydroxy-3-(methylamino)propoxy]ethoxy]ethoxy]ethoxy]pentan-2-ol?
The IUPAC name of 3-amino-3-ethyl-1-[2-[2-[2-[2-hydroxy-3-(methylamino)propoxy]ethoxy]ethoxy]ethoxy]pentan-2-ol (CID 89316703) is 3-amino-3-ethyl-1-[2-[2-[2-[2-hydroxy-3-(methylamino)propoxy]ethoxy]ethoxy]ethoxy]pentan-2-ol.
What is the SMILES notation for 3-amino-3-ethyl-1-[2-[2-[2-[2-hydroxy-3-(methylamino)propoxy]ethoxy]ethoxy]ethoxy]pentan-2-ol?
The canonical SMILES for 3-amino-3-ethyl-1-[2-[2-[2-[2-hydroxy-3-(methylamino)propoxy]ethoxy]ethoxy]ethoxy]pentan-2-ol is CCC(N)(CC)C(O)COCCOCCOCCOCC(O)CNC.
What is the InChIKey of 3-amino-3-ethyl-1-[2-[2-[2-[2-hydroxy-3-(methylamino)propoxy]ethoxy]ethoxy]ethoxy]pentan-2-ol?
The InChIKey is DBBGIKCANQMOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2O6/c1-4-17(18,5-2)16(21)14-25-11-9-23-7-6-22-8-10-24-13-15(20)12-19-3/h15-16,19-21H,4-14,18H2,1-3H3.
What are the key properties of 3-amino-3-ethyl-1-[2-[2-[2-[2-hydroxy-3-(methylamino)propoxy]ethoxy]ethoxy]ethoxy]pentan-2-ol?
3-amino-3-ethyl-1-[2-[2-[2-[2-hydroxy-3-(methylamino)propoxy]ethoxy]ethoxy]ethoxy]pentan-2-ol has a molecular weight of 366.50 g/mol, XLogP of -0.49, 18 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-ethyl-1-[2-[2-[2-[2-hydroxy-3-(methylamino)propoxy]ethoxy]ethoxy]ethoxy]pentan-2-ol is sourced from PubChem (CID 89316703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).