2-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol

C33H64N8O3 — CID 19090233

IUPAC2-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCCC(Nc1nc(NCCO)nc(NC(CCC)C2CC(C)(C)N(OC)C(C)(C)C2)n1)C1CC(C)(C)N(OC)C(C)(C)C1
InChIInChI=1S/C33H64N8O3/c1-13-15-25(23-19-30(3,4)40(43-11)31(5,6)20-23)35-28-37-27(34-17-18-42)38-29(39-28)36-26(16-14-2)24-21-32(7,8)41(44-12)33(9,10)22-24/h23-26,42H,13-22H2,1-12H3,(H3,34,35,36,37,38,39)
InChIKeyYLJUMPCAJMFNNW-UHFFFAOYSA-N
MW620.93 g/mol
LogP6.10
Rot. Bonds15

About 2-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol

2-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 19090233) has the molecular formula C33H64N8O3 and a molecular weight of 620.93 g/mol. Its IUPAC name is 2-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID19090233
Molecular FormulaC33H64N8O3
Molecular Weight620.93 g/mol
Exact Mass620.51
IUPAC Name2-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCCC(Nc1nc(NCCO)nc(NC(CCC)C2CC(C)(C)N(OC)C(C)(C)C2)n1)C1CC(C)(C)N(OC)C(C)(C)C1
InChIInChI=1S/C33H64N8O3/c1-13-15-25(23-19-30(3,4)40(43-11)31(5,6)20-23)35-28-37-27(34-17-18-42)38-29(39-28)36-26(16-14-2)24-21-32(7,8)41(44-12)33(9,10)22-24/h23-26,42H,13-22H2,1-12H3,(H3,34,35,36,37,38,39)
InChIKeyYLJUMPCAJMFNNW-UHFFFAOYSA-N
XLogP6.10
TPSA119.93 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500620.93
LogP ≤ 56.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol (CID 19090233) is 2-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol is CCCC(Nc1nc(NCCO)nc(NC(CCC)C2CC(C)(C)N(OC)C(C)(C)C2)n1)C1CC(C)(C)N(OC)C(C)(C)C1.
What is the InChIKey of 2-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is YLJUMPCAJMFNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H64N8O3/c1-13-15-25(23-19-30(3,4)40(43-11)31(5,6)20-23)35-28-37-27(34-17-18-42)38-29(39-28)36-26(16-14-2)24-21-32(7,8)41(44-12)33(9,10)22-24/h23-26,42H,13-22H2,1-12H3,(H3,34,35,36,37,38,39).
What are the key properties of 2-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 620.93 g/mol, XLogP of 6.10, 15 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 19090233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).