2-[3,3,3-tris(methylamino)propylamino]ethanol

C8H22N4O — CID 54018520

IUPAC2-[3,3,3-tris(methylamino)propylamino]ethanol
SMILESCNC(CCNCCO)(NC)NC
InChIInChI=1S/C8H22N4O/c1-9-8(10-2,11-3)4-5-12-6-7-13/h9-13H,4-7H2,1-3H3
InChIKeyKXHILHVLJIJFIQ-UHFFFAOYSA-N
MW190.29 g/mol
LogP-1.73
Rot. Bonds8

About 2-[3,3,3-tris(methylamino)propylamino]ethanol

2-[3,3,3-tris(methylamino)propylamino]ethanol (PubChem CID 54018520) has the molecular formula C8H22N4O and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-[3,3,3-tris(methylamino)propylamino]ethanol.

Molecular Properties

Compound Name2-[3,3,3-tris(methylamino)propylamino]ethanol
PubChem CID54018520
Molecular FormulaC8H22N4O
Molecular Weight190.29 g/mol
Exact Mass190.18
IUPAC Name2-[3,3,3-tris(methylamino)propylamino]ethanol
SMILESCNC(CCNCCO)(NC)NC
InChIInChI=1S/C8H22N4O/c1-9-8(10-2,11-3)4-5-12-6-7-13/h9-13H,4-7H2,1-3H3
InChIKeyKXHILHVLJIJFIQ-UHFFFAOYSA-N
XLogP-1.73
TPSA68.35 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 5-1.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3,3,3-tris(methylamino)propylamino]ethanol?
The IUPAC name of 2-[3,3,3-tris(methylamino)propylamino]ethanol (CID 54018520) is 2-[3,3,3-tris(methylamino)propylamino]ethanol.
What is the SMILES notation for 2-[3,3,3-tris(methylamino)propylamino]ethanol?
The canonical SMILES for 2-[3,3,3-tris(methylamino)propylamino]ethanol is CNC(CCNCCO)(NC)NC.
What is the InChIKey of 2-[3,3,3-tris(methylamino)propylamino]ethanol?
The InChIKey is KXHILHVLJIJFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N4O/c1-9-8(10-2,11-3)4-5-12-6-7-13/h9-13H,4-7H2,1-3H3.
What are the key properties of 2-[3,3,3-tris(methylamino)propylamino]ethanol?
2-[3,3,3-tris(methylamino)propylamino]ethanol has a molecular weight of 190.29 g/mol, XLogP of -1.73, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3,3-tris(methylamino)propylamino]ethanol is sourced from PubChem (CID 54018520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).