2-[2-[(1-amino-2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol

C13H30N4O — CID 118045347

IUPAC2-[2-[(1-amino-2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol
SMILESCC1(C)CC(NCCNCCO)CC(C)(C)N1N
InChIInChI=1S/C13H30N4O/c1-12(2)9-11(10-13(3,4)17(12)14)16-6-5-15-7-8-18/h11,15-16,18H,5-10,14H2,1-4H3
InChIKeyVTGOXHYWINXMRJ-UHFFFAOYSA-N
MW258.41 g/mol
LogP0.05
Rot. Bonds6

About 2-[2-[(1-amino-2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol

2-[2-[(1-amino-2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol (PubChem CID 118045347) has the molecular formula C13H30N4O and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-[2-[(1-amino-2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-[(1-amino-2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol
PubChem CID118045347
Molecular FormulaC13H30N4O
Molecular Weight258.41 g/mol
Exact Mass258.24
IUPAC Name2-[2-[(1-amino-2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol
SMILESCC1(C)CC(NCCNCCO)CC(C)(C)N1N
InChIInChI=1S/C13H30N4O/c1-12(2)9-11(10-13(3,4)17(12)14)16-6-5-15-7-8-18/h11,15-16,18H,5-10,14H2,1-4H3
InChIKeyVTGOXHYWINXMRJ-UHFFFAOYSA-N
XLogP0.05
TPSA73.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-amino-2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol?
The IUPAC name of 2-[2-[(1-amino-2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol (CID 118045347) is 2-[2-[(1-amino-2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol.
What is the SMILES notation for 2-[2-[(1-amino-2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol?
The canonical SMILES for 2-[2-[(1-amino-2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol is CC1(C)CC(NCCNCCO)CC(C)(C)N1N.
What is the InChIKey of 2-[2-[(1-amino-2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol?
The InChIKey is VTGOXHYWINXMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N4O/c1-12(2)9-11(10-13(3,4)17(12)14)16-6-5-15-7-8-18/h11,15-16,18H,5-10,14H2,1-4H3.
What are the key properties of 2-[2-[(1-amino-2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol?
2-[2-[(1-amino-2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol has a molecular weight of 258.41 g/mol, XLogP of 0.05, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-amino-2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylamino]ethanol is sourced from PubChem (CID 118045347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).