1-[3,5,5-tris(methylamino)hexoxy]ethanol

C11H27N3O2 — CID 174472979

IUPAC1-[3,5,5-tris(methylamino)hexoxy]ethanol
SMILESCNC(CCOC(C)O)CC(C)(NC)NC
InChIInChI=1S/C11H27N3O2/c1-9(15)16-7-6-10(12-3)8-11(2,13-4)14-5/h9-10,12-15H,6-8H2,1-5H3
InChIKeyLKJRHXMGZCVWFA-UHFFFAOYSA-N
MW233.36 g/mol
LogP-0.14
Rot. Bonds9

About 1-[3,5,5-tris(methylamino)hexoxy]ethanol

1-[3,5,5-tris(methylamino)hexoxy]ethanol (PubChem CID 174472979) has the molecular formula C11H27N3O2 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-[3,5,5-tris(methylamino)hexoxy]ethanol.

Molecular Properties

Compound Name1-[3,5,5-tris(methylamino)hexoxy]ethanol
PubChem CID174472979
Molecular FormulaC11H27N3O2
Molecular Weight233.36 g/mol
Exact Mass233.21
IUPAC Name1-[3,5,5-tris(methylamino)hexoxy]ethanol
SMILESCNC(CCOC(C)O)CC(C)(NC)NC
InChIInChI=1S/C11H27N3O2/c1-9(15)16-7-6-10(12-3)8-11(2,13-4)14-5/h9-10,12-15H,6-8H2,1-5H3
InChIKeyLKJRHXMGZCVWFA-UHFFFAOYSA-N
XLogP-0.14
TPSA65.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 5-0.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[3,5,5-tris(methylamino)hexoxy]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3,5,5-tris(methylamino)hexoxy]ethanol?
The IUPAC name of 1-[3,5,5-tris(methylamino)hexoxy]ethanol (CID 174472979) is 1-[3,5,5-tris(methylamino)hexoxy]ethanol.
What is the SMILES notation for 1-[3,5,5-tris(methylamino)hexoxy]ethanol?
The canonical SMILES for 1-[3,5,5-tris(methylamino)hexoxy]ethanol is CNC(CCOC(C)O)CC(C)(NC)NC.
What is the InChIKey of 1-[3,5,5-tris(methylamino)hexoxy]ethanol?
The InChIKey is LKJRHXMGZCVWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3O2/c1-9(15)16-7-6-10(12-3)8-11(2,13-4)14-5/h9-10,12-15H,6-8H2,1-5H3.
What are the key properties of 1-[3,5,5-tris(methylamino)hexoxy]ethanol?
1-[3,5,5-tris(methylamino)hexoxy]ethanol has a molecular weight of 233.36 g/mol, XLogP of -0.14, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5,5-tris(methylamino)hexoxy]ethanol is sourced from PubChem (CID 174472979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).